lcl161 profile

ID Source	ID
PubMed CID	24737642
CHEMBL ID	2431768
CHEBI ID	193137
SCHEMBL ID	1275369
MeSH ID	M0576186

Synonym
lcl 161
n-[(1s)-1-cyclohexyl-2-{(2s)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl]-n(2)-methyl-l-alaninamide
nvp-lcl161
lcl161 ,
CHEBI:193137
(2s)-n-[(1s)-1-cyclohexyl-2-{(2s)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl]-2-(methylamino)propanamide
1005342-46-0
lcl-161
(s)-n-((s)-1-cyclohexyl-2-((s)-2-(4-(4-fluorobenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)-2-(methylamino)propanamide
nvp-lcl 161
S7009
(2s)-n-[(1s)-1-cyclohexyl-2-[(2s)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylaminopropanamide
gtpl7912
bdbm50441356
chembl2431768 ,
CS-1630
HY-15518
SCHEMBL1275369
(2s)-n-[(1s)-1-cyclohexyl-2-[(2s)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
lcl 161 [who-dd]
propanamide, n-((1s)-1-cyclohexyl-2-((2s)-2-(4-(4-fluorobenzoyl)-2-thiazolyl)-1-pyrrolidinyl)-2-oxoethyl)-2-(methylamino)-, (2s)-
unii-6tns415y3p
6tns415y3p ,
AC-32971
EX-A533
AKOS027422741
mfcd23160049
propanamide, n-[(1s)-1-cyclohexyl-2-[(2s)-2-[4-(4-fluorobenzoyl)-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)-, (2s)-;propanamide, n-[(1s)-1-cyclohexyl-2-[(2s)-2-[4-(4-fluorobenzoyl)-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)-, (
DB12085
Q27079405
propanamide, n-[(1s)-1-cyclohexyl-2-[(2s)-2-[4-(4-fluorobenzoyl)-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)-, (2s)-
CCG-269696
nsc772868
nsc-772868
BP-25378
NCGC00378579-07
DTXSID501025866
n-[(1s)-1-cyclohexyl-2-{(2s)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl]-n~2~-methyl-l-alaninamide

Excerpt	Reference	Relevance
"LCL161 is a novel oral pan-inhibitor of apoptosis protein (IAP) antagonist. "	( A phase I study of LCL161, a novel oral pan-inhibitor of apoptosis protein (IAP) antagonist, in Japanese patients with advanced solid tumors. Ando, Y; Kiyota, N; Minami, H; Mitsuma, A; Morita, S; Toyoda, M, 2022)	2.49
"LCL161 is an anti-cancer DIABLO/SMAC mimetic currently being tested in patients with solid tumors, but the molecular mechanism of action of LCL161 in cancer cells is still incompletely understood."	( The SMAC mimetic LCL161 is a direct ABCB1/MDR1-ATPase activity modulator and BIRC5/Survivin expression down-regulator in cancer cells. Chang, JY; Chang, YC; Cheng, SM; Cheung, CHA; Coumar, MS; Kondapuram, SK; Leung, E; Lin, TY; Lin, YC; Syed, SB; Yang, TH, 2020)	1.62
"LCL161 is a second mitochondrial activator of caspases (SMAC) mimetic and inhibitor of apoptosis protein (IAP) antagonist that has oral bioavailability, exhibits anti-tumor effects and improves the chemical sensitivity of many cancers. "	( Induction of Necroptosis in Human Breast Cancer Drug-Resistant Cells by SMAC Analog LCL161 After Caspase Inhibition Requires RIP3. Jin, G; Liu, Y; Xu, P, 2019)	2.18
"LCL161 is a small molecule oral IAP antagonist in development for use in combination with cytotoxic agents."	( Time-dependent inhibition and induction of human cytochrome P4503A4/5 by an oral IAP antagonist, LCL161, in vitro and in vivo in healthy subjects. Cameron, S; Dhuria, S; Einolf, H; Gu, H; Mangold, J; Sen, S; Wang, L, 2013)	1.33
"LCL161 is a small molecule inhibitor of IAPs that has potent antitumour activity in a range of solid tumours."	( Synergistic effects of IAP inhibitor LCL161 and paclitaxel on hepatocellular carcinoma cells. Duan, W; George, J; Hebbard, L; Hu, Z; Lie, S; Qiao, L; Tian, A; Wilson, GS; Wu, G, 2014)	1.4

Excerpt	Reference	Relevance
"LCL161 at lower concentrations obviously inhibited the colony formation of HCC cells."	( [Effects of LCL161, a Smac mimetic on the proliferation and apoptosis in hepatocellular carcinoma cells]. Chong, D; Liu, H; Ma, L; Ren, K; Zhang, Z; Zhao, S; Zhou, C, 2016)	1.53

Excerpt	Reference	Relevance
"LCL161 treatment of peripheral blood mononuclear cells significantly enhanced priming of naïve T cells with synthetic peptides in vitro."	( Inhibitor of apoptosis protein (IAP) antagonists demonstrate divergent immunomodulatory properties in human immune subsets with implications for combination therapy. Cebon, J; Fucikova, J; Knights, AJ; Koernig, S; Pasam, A, 2013)	1.11
"Co-treatment with LCL161 and doxorubicin was particularly effective in the KRIB intramuscular model, impeding primary tumor growth and delaying or preventing metastasis."	( Smac mimetics LCL161 and GDC-0152 inhibit osteosarcoma growth and metastasis in mice. Burvenich, IJG; Harris, MA; Hawkins, CJ; Parker, BS; Rigopoulos, A; Scott, AM; Shekhar, TM; Spurling, A; Walkley, CR; Zanker, D, 2019)	1.2

Excerpt	Reference	Relevance
" Conventional chemotherapeutic agents combined with small-molecule IAP inhibitors (LCL161 or LBW242) showed a synergistic effect in MB cells."	( Blockade of Inhibitors of Apoptosis Proteins in Combination with Conventional Chemotherapy Leads to Synergistic Antitumor Activity in Medulloblastoma and Cancer Stem-Like Cells. Chen, SM; Hsieh, LL; Huang, SF; Li, YY; Lui, TN; Salazar, N; Tseng, YY; Tu, CH, 2016)	0.66

Excerpt	Reference	Relevance
" A second part of the study assessed the relative bioavailability of a tablet versus solution formulation."	( Phase I dose-escalation study of LCL161, an oral inhibitor of apoptosis proteins inhibitor, in patients with advanced solid tumors. Cameron, S; Cohen, RB; Dees, EC; Dhuria, SV; Infante, JR; Olszanski, AJ; Sen, S, 2014)	0.68

Excerpt	Relevance	Reference
"The addition of LCL161 to oral topotecan caused more myelosuppression when dosed together than what was associated with either drug alone."	( A Phase Ib Dose-Escalation Study of LCL161 Plus Oral Topotecan for Patients With Relapsed/Refractory Small Cell Lung Cancer and Select Gynecologic Malignancies. Aljumaily, R; Burris Iii, HA; Johnson, ML; Jones, SF; Patel, MR; Spigel, DR, 2023)	1.53

Role	Description
antineoplastic agent	A substance that inhibits or prevents the proliferation of neoplasms.
apoptosis inducer	Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
aromatic ketone	A ketone in which the carbonyl group is attached to an aromatic ring.
monofluorobenzenes	Any member of the class of fluorobenzenes containing a mono- or poly-substituted benzene ring carrying a single fluorine substitutent.
N-acylpyrrolidine
1,3-thiazoles
L-alanine derivative	A proteinogenic amino acid derivative resulting from reaction of L-alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-alanine by a heteroatom.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
PPM1D protein	Homo sapiens (human)	Potency	29.4107	0.0052	9.4661	32.9993	AID1347411
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	1.3450	0.0123	7.9835	43.2770	AID1645841
Interferon beta	Homo sapiens (human)	Potency	29.4107	0.0033	9.1582	39.8107	AID1347411
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)	IC50 (µMol)	0.2238	0.0075	0.6227	4.1000	AID1362433; AID1509247; AID1509248; AID1616477; AID1616478; AID1847717; AID1847721; AID774231; AID774232; AID776364; AID776365
Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)	IC50 (µMol)	0.0159	0.0085	0.0893	0.6900	AID1616476; AID1616483; AID1847719; AID1847723
Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)	IC50 (µMol)	0.5619	0.0004	0.3121	2.7200	AID1362434; AID1616481; AID1616482; AID1847718; AID1847722; AID774255; AID774256; AID776362; AID776363
Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)	IC50 (µMol)	0.0120	0.0090	0.0120	0.0150	AID1847716; AID1847720
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)	EC50 (µMol)	0.1590	0.0150	0.1734	0.5000	AID1448024; AID774233
E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)	Kd	0.0527	0.0280	0.2051	0.9000	AID1553566
Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)	Kd	0.0129	0.0129	0.0306	0.0430	AID1553575
Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)	EC50 (µMol)	0.0004	0.0004	0.0004	0.0004	AID1448029
Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)	Kd	0.0104	0.0010	0.0095	0.0170	AID1553574
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell activation involved in immune response	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to virus	Interferon beta	Homo sapiens (human)
positive regulation of autophagy	Interferon beta	Homo sapiens (human)
cytokine-mediated signaling pathway	Interferon beta	Homo sapiens (human)
natural killer cell activation	Interferon beta	Homo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT protein	Interferon beta	Homo sapiens (human)
cellular response to interferon-beta	Interferon beta	Homo sapiens (human)
B cell proliferation	Interferon beta	Homo sapiens (human)
negative regulation of viral genome replication	Interferon beta	Homo sapiens (human)
innate immune response	Interferon beta	Homo sapiens (human)
positive regulation of innate immune response	Interferon beta	Homo sapiens (human)
regulation of MHC class I biosynthetic process	Interferon beta	Homo sapiens (human)
negative regulation of T cell differentiation	Interferon beta	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Interferon beta	Homo sapiens (human)
defense response to virus	Interferon beta	Homo sapiens (human)
type I interferon-mediated signaling pathway	Interferon beta	Homo sapiens (human)
neuron cellular homeostasis	Interferon beta	Homo sapiens (human)
cellular response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
cellular response to virus	Interferon beta	Homo sapiens (human)
negative regulation of Lewy body formation	Interferon beta	Homo sapiens (human)
negative regulation of T-helper 2 cell cytokine production	Interferon beta	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell differentiation	Interferon beta	Homo sapiens (human)
natural killer cell activation involved in immune response	Interferon beta	Homo sapiens (human)
adaptive immune response	Interferon beta	Homo sapiens (human)
T cell activation involved in immune response	Interferon beta	Homo sapiens (human)
humoral immune response	Interferon beta	Homo sapiens (human)
regulation of apoptotic process	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
DNA damage response	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
negative regulation of tumor necrosis factor-mediated signaling pathway	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
Wnt signaling pathway	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
regulation of BMP signaling pathway	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
positive regulation of protein ubiquitination	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
positive regulation of type I interferon production	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
regulation of cell population proliferation	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
defense response to bacterium	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
negative regulation of apoptotic process	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
positive regulation of canonical NF-kappaB signal transduction	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
negative regulation of cysteine-type endopeptidase activity involved in apoptotic process	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
regulation of innate immune response	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
positive regulation of JNK cascade	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
regulation of inflammatory response	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
neuron apoptotic process	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
copper ion homeostasis	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
regulation of apoptosis involved in tissue homeostasis	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
regulation of nucleotide-binding domain, leucine rich repeat containing receptor signaling pathway	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
nucleotide-binding oligomerization domain containing 1 signaling pathway	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
nucleotide-binding oligomerization domain containing 2 signaling pathway	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
protein K63-linked ubiquitination	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
positive regulation of canonical Wnt signaling pathway	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
inhibition of cysteine-type endopeptidase activity	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
positive regulation of protein linear polyubiquitination	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
regulation of cell cycle	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
apoptotic process	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
cell surface receptor signaling pathway	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
canonical NF-kappaB signal transduction	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
spermatogenesis	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
positive regulation of protein ubiquitination	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
tumor necrosis factor-mediated signaling pathway	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
regulation of toll-like receptor signaling pathway	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
non-canonical NF-kappaB signal transduction	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
regulation of RIG-I signaling pathway	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
regulation of apoptotic process	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
positive regulation of canonical NF-kappaB signal transduction	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
regulation of innate immune response	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
regulation of inflammatory response	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
regulation of necroptotic process	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
regulation of nucleotide-binding domain, leucine rich repeat containing receptor signaling pathway	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
regulation of cysteine-type endopeptidase activity	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
regulation of cell cycle	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
negative regulation of apoptotic process	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
negative regulation of necroptotic process	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
protein polyubiquitination	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
response to hypoxia	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
placenta development	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
apoptotic process	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
cell surface receptor signaling pathway	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
canonical NF-kappaB signal transduction	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
tumor necrosis factor-mediated signaling pathway	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
regulation of toll-like receptor signaling pathway	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
non-canonical NF-kappaB signal transduction	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
regulation of RIG-I signaling pathway	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
regulation of cell population proliferation	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
regulation of apoptotic process	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
negative regulation of apoptotic process	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
positive regulation of canonical NF-kappaB signal transduction	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
proteasome-mediated ubiquitin-dependent protein catabolic process	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
regulation of innate immune response	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
response to ethanol	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
regulation of cell differentiation	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
positive regulation of DNA-templated transcription	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
regulation of inflammatory response	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
response to cAMP	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
regulation of cell cycle	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
regulation of necroptotic process	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
necroptotic process	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
regulation of nucleotide-binding domain, leucine rich repeat containing receptor signaling pathway	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
regulation of non-canonical NF-kappaB signal transduction	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
negative regulation of ripoptosome assembly involved in necroptotic process	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
positive regulation of protein K63-linked ubiquitination	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
positive regulation of protein K48-linked ubiquitination	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
positive regulation of protein monoubiquitination	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
regulation of cysteine-type endopeptidase activity	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
regulation of reactive oxygen species metabolic process	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
positive regulation of protein ubiquitination	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
negative regulation of necroptotic process	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
regulation of apoptotic process	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
lens development in camera-type eye	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
apoptotic process	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
negative regulation of tumor necrosis factor-mediated signaling pathway	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
protein ubiquitination	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
regulation of cell population proliferation	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
negative regulation of apoptotic process	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
positive regulation of JNK cascade	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
regulation of natural killer cell apoptotic process	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
positive regulation of protein ubiquitination	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
regulation of cell cycle	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
cytokine activity	Interferon beta	Homo sapiens (human)
cytokine receptor binding	Interferon beta	Homo sapiens (human)
type I interferon receptor binding	Interferon beta	Homo sapiens (human)
protein binding	Interferon beta	Homo sapiens (human)
chloramphenicol O-acetyltransferase activity	Interferon beta	Homo sapiens (human)
ubiquitin-protein transferase activity	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
cysteine-type endopeptidase inhibitor activity	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
protein binding	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
identical protein binding	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
cysteine-type endopeptidase inhibitor activity involved in apoptotic process	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
metal ion binding	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
endopeptidase regulator activity	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
ubiquitin protein ligase activity	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
protein serine/threonine kinase binding	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
ubiquitin-protein transferase activity	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
protein binding	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
transferase activity	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
protein-containing complex binding	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
metal ion binding	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
cysteine-type endopeptidase inhibitor activity involved in apoptotic process	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
ubiquitin protein ligase activity	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
transcription coactivator activity	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
ubiquitin-protein transferase activity	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
protein binding	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
zinc ion binding	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
transferase activity	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
identical protein binding	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
ubiquitin binding	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
protein-containing complex binding	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
protein-folding chaperone binding	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
FBXO family protein binding	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
ubiquitin protein ligase activity	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
cysteine-type endopeptidase inhibitor activity involved in apoptotic process	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
ubiquitin-protein transferase activity	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
cysteine-type endopeptidase inhibitor activity	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
protein binding	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
enzyme binding	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
metal ion binding	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
cysteine-type endopeptidase inhibitor activity involved in apoptotic process	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
ubiquitin protein ligase activity	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
extracellular space	Interferon beta	Homo sapiens (human)
extracellular region	Interferon beta	Homo sapiens (human)
cytoplasm	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
nucleus	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
nucleoplasm	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
cytoplasm	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
cytosol	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
nucleus	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
nucleus	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
nucleoplasm	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
cytoplasm	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
cytosol	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
protein-containing complex	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
nucleus	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
cytoplasm	Baculoviral IAP repeat-containing protein 3	Homo sapiens (human)
XY body	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
nucleus	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
cytoplasm	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
cytosol	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
cytoplasmic side of plasma membrane	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
CD40 receptor complex	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
nucleus	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
cytoplasm	Baculoviral IAP repeat-containing protein 2	Homo sapiens (human)
nucleus	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
nucleoplasm	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
cytoplasm	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
Golgi apparatus	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
centrosome	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
cytosol	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
cytoplasm	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
nucleus	Baculoviral IAP repeat-containing protein 7	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (91)

Assay ID	Title	Year	Journal	Article
AID774238	Potentiation of conatumumab-induced XIAP degradation in human LOX cells xenografted in mouse at 100 mg/kg, po after 8 hrs by Western blotting analysis	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID776325	In vivo inhibition of XIAP BIR2 domain in human LOX cells xenografted in nude mouse assessed as potentiation of conatumumab-induced caspase 3/7 activity at 100 mg/kg, po after 8 hrs by Western blot analysis	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain.
AID1553574	Binding affinity to cIAP1-BIR3 domain (unknown origin)	2019	Journal of medicinal chemistry, 06-27, Volume: 62, Issue:12	Inhibitor of Apoptosis Protein (IAP) Antagonists in Anticancer Agent Discovery: Current Status and Perspectives.
AID774231	Inhibition of His-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 1 hr by TR-FRET assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID1448029	Induction of cIAP1 degradation in human MDA-MB-231 cells after 2 hrs	2017	Journal of medicinal chemistry, 06-08, Volume: 60, Issue:11	Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
AID1847722	Antagonist activity at N-terminal His-tagged cIAP1-BIR3 domain (unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated peptide as substrate preincubated for 2 hrs with protein followed by substrate addition measured after 2 hrs b	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	Lysine Covalent Antagonists of Melanoma Inhibitors of Apoptosis Protein.
AID1509290	Half-life in mouse plasma at 200 uM by LC-MS method	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Covalent Inhibitors of Protein-Protein Interactions Targeting Lysine, Tyrosine, or Histidine Residues.
AID1509251	Covalent binding affinity to N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21(DE3) cells assessed as change in melting temperature incubated for 6 hrs by SYPRO orange dye-based thermal shift	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Covalent Inhibitors of Protein-Protein Interactions Targeting Lysine, Tyrosine, or Histidine Residues.
AID1509296	Induction of apoptosis in human SKOV3 cells assessed caspase-3 activation after 48 hrs by IncuCyte S3 live-cell analysis	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Covalent Inhibitors of Protein-Protein Interactions Targeting Lysine, Tyrosine, or Histidine Residues.
AID1847719	Antagonist activity at N-terminal His-tagged cIAP2-BIR3 domain (unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated peptide as substrate incubated for 2 hrs by DELFIA assay	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	Lysine Covalent Antagonists of Melanoma Inhibitors of Apoptosis Protein.
AID1448038	Antitumor activity against human MDA-MB-231 cells xenografted in Balb/c SCID mouse assessed as tumor growth inhibition at 30 mg/kg administered via oral gavage for 24 days	2017	Journal of medicinal chemistry, 06-08, Volume: 60, Issue:11	Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
AID1847731	Binding affinity to N-terminal His-tagged ML-IAP K135A mutant (63 to 179 residues) (unknown origin) expressed in Escherichia coli BL21 assessed as change in melting temperature at 20 uM incubated for 2 hrs followed by heating at 40 to 70 degree C for 30 m	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	Lysine Covalent Antagonists of Melanoma Inhibitors of Apoptosis Protein.
AID1616495	Induction of apoptosis in human A549 cells assessed as increase in caspase-3/7 activity at 2.5 uM incubated for 36 hrs in presence of 1 ng/mL TNFlpha by IncuCyteS3 caspase-3/7 fluorescence-based apoptosis assay	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID774250	Potentiation of conatumumab-induced cytotoxicity against human HCT15 cells at 3.3 uM after 5 days by MTS assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID1616482	Inhibition of N-terminal 6x-His-tagged recombinant human cIAP1-BIR3 (258 to 363 residues) expressed in Escherichia coli incubated for 2 hrs after 6 hrs pre-incubation with enzyme by biotinylated AVPI peptide based DELFIA	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID774246	Induction of apoptosis in human SW620 cells assessed as potentiation of conatumumab-induced caspase 3/7 activation after 4 hrs by fluorescence assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID774243	Binding affinity to cIAP1 BIR3 domain in human MDA-MB-231 cells assessed as increase in TNFalpha level at 2.5 to 10 uM after 19 hrs by ELISA	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID776335	Induction of sensitization of human PC3 cells to conatumumab-induced apoptosis assessed as cell viability at 2.5 uM after 5 days by MTS assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain.
AID774256	Inhibition of His-thrombin-TEV-tagged cIAP1 BIR2 domain (174 to 256) (unknown origin) after 1 hr by TR-FRET assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID774252	Potentiation of conatumumab-induced cytotoxicity against human SW620 cells at 3.3 uM after 5 days by MTS assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID1616496	Cytotoxicity in human SK-MEL-28 cells assessed as reduction in cell viability in presence of 1 ng/mL TNFlpha measured every 3 hrs for 4 days by IncuCyteS3 live-cell analysis system based assay	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID776320	Induction of sensitization of human SW620 cells to conatumumab-induced apoptosis assessed as cell viability at 2.5 uM after 5 days by MTS assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain.
AID1616476	Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs without 6 hrs pre-incubation with enzyme by biotinylated AVPI peptide based DELFIA	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID1616486	Stability in mouse plasma assessed as half life at 200 uM at 37 degC incubated up to 120 mins by mass spectrometry	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID1616488	Induction of cIAP1 degradation in human SK-MEL-28 cells assessed as reduction in cIAP1 protein level at 1 uM incubated for 3 hrs by Western blot analysis	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID776321	Drug uptake in tumor of nude mouse xenografted with human LOX cells at 100 mg/kg, po measured at 8 hrs	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain.
AID1616493	Induction of apoptosis in human A549 cells assessed as increase in caspase-3/7 activity at 2.5 uM incubated for 36 hrs by IncuCyteS3 caspase-3/7 fluorescence-based apoptosis assay	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID1509247	Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21(DE3) cells incubated for 8 hrs by DELFIA	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Covalent Inhibitors of Protein-Protein Interactions Targeting Lysine, Tyrosine, or Histidine Residues.
AID774247	Potentiation of conatumumab-induced cytotoxicity against human LOX cells at 3.3 uM after 3 days by MTS assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID1362433	Inhibition of full length FLAG-tagged XIAP (unknown origin) interaction with full length untagged caspase-9 expressed in HEK293 cells after 2 hrs by immunoprecipitation assay	2018	Journal of medicinal chemistry, 08-23, Volume: 61, Issue:16	A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmor
AID776334	Induction of sensitization of human AGS cells to conatumumab-induced apoptosis assessed as cell viability at 2.5 uM after 5 days by MTS assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain.
AID1616477	Inhibition of N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS incubated for 2 hrs without 6 hrs pre-incubation with enzyme by biotinylated AVPI peptide based DELFIA	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID1616491	Induction of cIAP2 degradation in human A549 cells assessed as reduction in cIAP2 protein level at 1 uM incubated for 3 hrs by Western blot analysis	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID1847720	Antagonist activity at N-terminal His-tagged wild type ML-IAP BIR domain (63 to 179 residues)(unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated peptide as substrate preincubated for 2 hrs with protein followed by substrate a	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	Lysine Covalent Antagonists of Melanoma Inhibitors of Apoptosis Protein.
AID776362	Inhibition of cIAP1 BIR2 domain (unknown origin)	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain.
AID1847715	Binding affinity to N-terminal His-tagged wild type ML-IAP (63 to 179 residues) (unknown origin) expressed in Escherichia coli BL21 assessed as change in melting temperature at 20 uM incubated for 2 hrs followed by heating at 40 to 70 degree C for 30 mins	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	Lysine Covalent Antagonists of Melanoma Inhibitors of Apoptosis Protein.
AID1616481	Inhibition of N-terminal 6x-His-tagged recombinant human cIAP1-BIR3 (258 to 363 residues) expressed in Escherichia coli incubated for 2 hrs without 6 hrs pre-incubation with enzyme by biotinylated AVPI peptide based DELFIA	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID774253	Potentiation of conatumumab-induced cytotoxicity against human SW620 cells at 1.1 uM after 5 days by MTS assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID776327	In vivo inhibition of XIAP BIR2 domain in human LOX cells xenografted in nude mouse assessed as increase in caspase 3/7 activity at 100 mg/kg, po after 8 hrs by Western blot analysis	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain.
AID776330	Inhibition of cIAP1 in human CHL1 cells at 0.4 to 10 uM after 28 hrs by Western blot analysis	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain.
AID774244	Induction of caspase 3/7 activation in human LOX cells xenografted in mouse at 100 mg/kg, po after 8 hrs by fluorescence assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID1509248	Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21(DE3) cells incubated for 2 hrs by DELFIA	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Covalent Inhibitors of Protein-Protein Interactions Targeting Lysine, Tyrosine, or Histidine Residues.
AID1847736	Induction of apoptosis in human SK-MEL-28 cells assessed as increase in caspase-3/7 activity at 0.1 to 10 uM in presence of 0.1 ng/mL TNFlpha by IncuCyteS3 caspase-3/7 fluorescence-based apoptosis assay	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	Lysine Covalent Antagonists of Melanoma Inhibitors of Apoptosis Protein.
AID774248	Potentiation of conatumumab-induced cytotoxicity against human BxPC3 cells at 3.3 uM after 5 days by MTS assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID1616487	Covalent binding affinity to HA-BIR3 domain of XIAP (unknown origin) expressed in HEK293T cells assessed as increase in band intensity at 10 uM incubated for 6 hrs by Western blot analysis	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID1509295	Induction of apoptosis in human SKOV3 cells assessed caspase-3 activation after 24 hrs by IncuCyte S3 live-cell analysis	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Covalent Inhibitors of Protein-Protein Interactions Targeting Lysine, Tyrosine, or Histidine Residues.
AID1616478	Inhibition of N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS incubated for 2 hrs after 6 hrs pre-incubation with enzyme by biotinylated AVPI peptide based DELFIA	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID1553566	Binding affinity to XIAP-BIR3 domain (241 to 356 residues) (unknown origin) by fluorescence polarization-based competition assay	2019	Journal of medicinal chemistry, 06-27, Volume: 62, Issue:12	Inhibitor of Apoptosis Protein (IAP) Antagonists in Anticancer Agent Discovery: Current Status and Perspectives.
AID776336	Induction of sensitization of human SW620 cells to conatumumab-induced apoptosis assessed as cell viability after 5 days by MTS assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain.
AID776333	Potentiation of conatumumab-induced apoptosis in human U118MG cells at 2.5 uM after 5 days by MTS assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain.
AID1362432	Antiproliferative activity against human MDA-MB-231 cells after 72 hrs by Alamar blue assay	2018	Journal of medicinal chemistry, 08-23, Volume: 61, Issue:16	A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmor
AID774249	Potentiation of conatumumab-induced cytotoxicity against human LS180 cells at 3.3 uM after 5 days by MTS assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID1553575	Binding affinity to cIAP2-BIR3 domain (unknown origin)	2019	Journal of medicinal chemistry, 06-27, Volume: 62, Issue:12	Inhibitor of Apoptosis Protein (IAP) Antagonists in Anticancer Agent Discovery: Current Status and Perspectives.
AID776329	Inhibition of cIAP1/2 in human MDA-MB-231 cells assessed as induction of TNFalpha level at 0.37 to 3.3 uM after 19 hrs by ELISA	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain.
AID774237	Potentiation of conatumumab-induced XIAP degradation in human LOX cells xenografted in mouse at 200 mg/kg, po after 8 hrs by Western blotting analysis	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID776331	Potentiation of conatumumab-induced apoptosis in human Capan1 cells at 2.5 uM after 5 days by MTS assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain.
AID1659176	Inhibition of Zika virus NS2B-NS3 protease assessed as as ratio of K(obs)/[I] using biotin-tagged peptide (P4-P1) as substrate	2020	Bioorganic & medicinal chemistry letters, 03-01, Volume: 30, Issue:5	Inhibitors of the Zika virus protease NS2B-NS3.
AID774251	Potentiation of conatumumab-induced cytotoxicity against human H460 cells at 3.3 uM after 5 days by MTS assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID1616492	Induction of apoptosis in human SK-MEL-28 cells assessed as increase in caspase-3/7 activity at 2.5 uM incubated for 36 hrs by IncuCyteS3 caspase-3/7 fluorescence-based apoptosis assay	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID776332	Potentiation of conatumumab-induced apoptosis in human SKMES1 cells at 2.5 uM after 5 days by MTS assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain.
AID1616494	Induction of apoptosis in human SK-MEL-28 cells assessed as increase in caspase-3/7 activity at 2.5 uM incubated for 36 hrs in presence of 1 ng/mL TNFlpha by IncuCyteS3 caspase-3/7 fluorescence-based apoptosis assay	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID1847718	Antagonist activity at N-terminal His-tagged cIAP1-BIR3 domain (unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated peptide as substrate incubated for 2 hrs by DELFIA assay	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	Lysine Covalent Antagonists of Melanoma Inhibitors of Apoptosis Protein.
AID1847723	Antagonist activity at N-terminal His-tagged cIAP2-BIR3 domain (unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated peptide as substrate preincubated for 2 hrs with protein followed by substrate addition measured after 2 hrs b	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	Lysine Covalent Antagonists of Melanoma Inhibitors of Apoptosis Protein.
AID1362434	Induction of intracellular cIAP1 degradation in human MDA-MB-231 cells after 2 hrs	2018	Journal of medicinal chemistry, 08-23, Volume: 61, Issue:16	A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmor
AID1847732	Binding affinity to ML-IAP in human SK-MEL-28 cells assessed as change in melting temperature at 10 uM incubated for 3 hrs followed by heating at 37 to 70 degree C for 3 mins by CETSA analysis (Rvb = 50 degreeC)	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	Lysine Covalent Antagonists of Melanoma Inhibitors of Apoptosis Protein.
AID1448031	Cytotoxicity against human MDA-MB-231 cells assessed as decrease in cell proliferation after 72 hrs by alamar blue assay	2017	Journal of medicinal chemistry, 06-08, Volume: 60, Issue:11	Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
AID774233	Inhibition of GST-tagged full length XIAP (unknown origin) assessed as caspase 3/7 reactivation in S-100 cell extract after 4 hrs by fluorescence assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID1616489	Induction of cIAP1 degradation in human A549 cells assessed as reduction in cIAP1 protein level at 1 uM incubated for 3 hrs by Western blot analysis	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID774240	Potentiation of conatumumab-induced cIAP1 degradation in human LOX cells xenografted in mouse at 100 mg/kg, po after 8 hrs by Western blotting analysis	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID774232	Inhibition of His-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 1 hr by TR-FRET assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID776363	Inhibition of cIAP1 BIR3 domain (unknown origin)	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain.
AID1847716	Antagonist activity at N-terminal His-tagged wild type ML-IAP BIR domain (63 to 179 residues) (unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated peptide as substrate incubated for 2 hrs by DELFIA assay	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	Lysine Covalent Antagonists of Melanoma Inhibitors of Apoptosis Protein.
AID1616480	Binding affinity to N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS assessed as change in melting temperature incubated for for 6 hrs at 37 degC by SYPRO orange dye based thermal shift assay	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID1616497	Cytotoxicity in human A549 cells assessed as reduction in cell viability in presence of 1 ng/mL TNFlpha measured every 3 hrs for 4 days by IncuCyteS3 live-cell analysis system based assay	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID776365	Inhibition of XIAP BIR3 domain (unknown origin)	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain.
AID1616479	Binding affinity to N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS assessed as change in melting temperature incubated for for 2 hrs at room temperature by SYPRO orange dye based thermal shif	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID1439892	Antiproliferative activity against human CCRF-CEM cells	2017	ACS medicinal chemistry letters, Apr-13, Volume: 8, Issue:4	RITA Mimics: Synthesis and Mechanistic Evaluation of Asymmetric Linked Trithiazoles.
AID1448024	Inhibition of full length FLAG-tagged XIAP (unknown origin) interaction with full length untagged caspase-9 expressed in HEK293 cells after 2 hrs by immunoprecipitation assay	2017	Journal of medicinal chemistry, 06-08, Volume: 60, Issue:11	Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
AID1847717	Antagonist activity at N-terminal His-tagged XIAP-BIR3 domain (253 to 347 residues)(unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated peptide as substrate incubated for 2 hrs by DELFIA assay	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	Lysine Covalent Antagonists of Melanoma Inhibitors of Apoptosis Protein.
AID776323	Plasma concentration in nude mouse xenografted with human LOX cells at 100 mg/kg, po measured at 8 hrs	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain.
AID1509250	Covalent binding affinity to N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21(DE3) cells assessed as change in melting temperature incubated for 2 hrs by SYPRO orange dye-based thermal shift	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Covalent Inhibitors of Protein-Protein Interactions Targeting Lysine, Tyrosine, or Histidine Residues.
AID774255	Inhibition of His-thrombin-TEV-tagged cIAP1 BIR3 domain (260 to 352) (unknown origin) after 1 hr by TR-FRET assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID774241	Potentiation of conatumumab-induced caspase 3/7 activation in human LOX cells xenografted in mouse after 8 hrs by fluorescence assay	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID1616483	Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs after 6 hrs pre-incubation with enzyme by biotinylated AVPI peptide based DELFIA	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID1847721	Antagonist activity at N-terminal His-tagged XIAP-BIR3 domain (253 to 347 residues)(unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated peptide as substrate preincubated for 2 hrs with protein followed by substrate addition me	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	Lysine Covalent Antagonists of Melanoma Inhibitors of Apoptosis Protein.
AID776364	Inhibition of XIAP BIR2 domain (unknown origin)	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain.
AID1847735	Induction of apoptosis in human SK-MEL-28 cells assessed as increase in caspase-3/7 activity measured up to 48 hrs in presence of 0.1 ng/mL TNFlpha by IncuCyteS3 caspase-3/7 fluorescence-based apoptosis assay	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	Lysine Covalent Antagonists of Melanoma Inhibitors of Apoptosis Protein.
AID1616490	Induction of cIAP2 degradation in human SK-MEL-28 cells assessed as reduction in cIAP2 protein level at 1 uM incubated for 3 hrs by Western blot analysis	2019	Journal of medicinal chemistry, 10-24, Volume: 62, Issue:20	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.
AID1347411	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1346249	Human baculoviral IAP repeat containing 2 (Inhibitors of apoptosis (IAP) protein family)	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
AID1346157	Human X-linked inhibitor of apoptosis (Inhibitors of apoptosis (IAP) protein family)	2013	Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20	Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	0 (0.00)	29.6817
2010's	46 (66.67)	24.3611
2020's	23 (33.33)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	5 (7.25%)	5.53%
Reviews	3 (4.35%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	61 (88.41%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
erythrosine Fluoresceins: A family of spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one derivatives. These are used as dyes, as indicators for various metals, and as fluorescent labels in immunoassays.	3.35	1	0
hydroxychloroquine Hydroxychloroquine: A chemotherapeutic agent that acts against erythrocytic forms of malarial parasites. Hydroxychloroquine appears to concentrate in food vacuoles of affected protozoa. It inhibits plasmodial heme polymerase. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p970). hydroxychloroquine : An aminoquinoline that is chloroquine in which one of the N-ethyl groups is hydroxylated at position 2. An antimalarial with properties similar to chloroquine that acts against erythrocytic forms of malarial parasites, it is mainly used as the sulfate salt for the treatment of lupus erythematosus, rheumatoid arthritis, and light-sensitive skin eruptions.	3.35	1	0	aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug
midazolam Midazolam: A short-acting hypnotic-sedative drug with anxiolytic and amnestic properties. It is used in dentistry, cardiac surgery, endoscopic procedures, as preanesthetic medication, and as an adjunct to local anesthesia. The short duration and cardiorespiratory stability makes it useful in poor-risk, elderly, and cardiac patients. It is water-soluble at pH less than 4 and lipid-soluble at physiological pH.. midazolam : An imidazobenzodiazepine that is 4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted by a methyl, 2-fluorophenyl and chloro groups at positions 1, 6 and 8, respectively.	2.08	1	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
methionine Methionine: A sulfur-containing essential L-amino acid that is important in many body functions.. methionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.	2.13	1	0	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
pyrroles 1H-pyrrole : A tautomer of pyrrole that has the double bonds at positions 2 and 4.. pyrrole : A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'.. azole : Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen.	3.04	4	0	pyrrole; secondary amine
thiazoles [no description available]	10.56	56	4	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
deoxycytidine [no description available]	2.25	1	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
bromocriptine Bromocriptine: A semisynthetic ergotamine alkaloid that is a dopamine D2 agonist. It suppresses prolactin secretion.	3.35	1	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
paclitaxel Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL).	4.24	3	1	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
etoposide [no description available]	2.21	1	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
topotecan Topotecan: An antineoplastic agent used to treat ovarian cancer. It works by inhibiting DNA TOPOISOMERASES, TYPE I.. topotecan : A pyranoindolizinoquinoline used as an antineoplastic agent. It is a derivative of camptothecin and works by binding to the topoisomerase I-DNA complex and preventing religation of these 328 single strand breaks.	8.99	1	1	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
gemcitabine gemcitabine : A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer.	2.25	1	0	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic
triazoles Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.	2.13	1	0	1,2,3-triazole
2,5-bis(5-hydroxymethyl-2-thienyl)furan [no description available]	2.15	1	0	thiophenes
methyl-thiohydantoin-tryptophan methyl-thiohydantoin-tryptophan: structure in first source	2.15	1	0	organonitrogen compound; organooxygen compound
dasatinib N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source. dasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN).	2.55	2	0	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
abt-737 [no description available]	2.11	1	0	aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
lbw242 LBW242: proapoptotic IAP inhibitor; low MW Smac (Second mitochondria-derived activator of caspases) mimetic; structure in first source	2.13	1	0
carfilzomib [no description available]	2.17	1	0	epoxide; morpholines; tetrapeptide	antineoplastic agent; proteasome inhibitor
nvp-tae684 [no description available]	2.13	1	0	piperidines
sm 164 SM 164: a bivalent Smac mimetic with antineoplastic activity; structure in first source	2.13	1	0	benzenes; organic heterobicyclic compound; secondary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; radiosensitizing agent
navitoclax [no description available]	2.25	1	0	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
at 406 [no description available]	3.73	2	0
gx 15-070 obatoclax: a pan-Bcl-2 inhibitor potentially useful in treating mantle cell lymphoma	2.13	1	0
gdc-0152 GDC-0152: structure in first source	9.2	4	0
birinapant birinapant: a Smac mimetic with antineoplastic activity	5.55	7	0	dipeptide
novobiocin Novobiocin: An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189). novobiocin : A coumarin-derived antibiotic obtained from Streptomyces niveus.	3.35	1	0	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone: an interleukin-1beta converting enzyme (ICE)-like protease inhibitor	2.85	3	0
nitrophenols Nitrophenols: PHENOLS carrying nitro group substituents.	2.11	1	0
temoporfin [no description available]	3.35	1	0
sc-2001 SC-2001: obatoclax derivative; structure in first source	2.07	1	0

Condition	Indicated	Relationship Strength	Studies	Trials
Congenital Zika Syndrome [description not available]	0	3.17	1	0
Zika Virus Infection A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.	0	3.17	1	0
Malignant Melanoma [description not available]	0	2.55	2	0
Melanoma A malignant neoplasm derived from cells that are capable of forming melanin, which may occur in the skin of any part of the body, in the eye, or, rarely, in the mucous membranes of the genitalia, anus, oral cavity, or other sites. It occurs mostly in adults and may originate de novo or from a pigmented nevus or malignant lentigo. Melanomas frequently metastasize widely, and the regional lymph nodes, liver, lungs, and brain are likely to be involved. The incidence of malignant skin melanomas is rising rapidly in all parts of the world. (Stedman, 25th ed; from Rook et al., Textbook of Dermatology, 4th ed, p2445)	0	2.55	2	0
Cancer of Liver [description not available]	0	3.06	4	0
Cancer of Rectum [description not available]	0	2.31	1	0
Liver Neoplasms Tumors or cancer of the LIVER.	0	3.06	4	0
Rectal Neoplasms Tumors or cancer of the RECTUM.	0	2.31	1	0
Benign Neoplasms, Brain [description not available]	0	2.61	2	0
Glial Cell Tumors [description not available]	0	2.31	1	0
Brain Neoplasms Neoplasms of the intracranial components of the central nervous system, including the cerebral hemispheres, basal ganglia, hypothalamus, thalamus, brain stem, and cerebellum. Brain neoplasms are subdivided into primary (originating from brain tissue) and secondary (i.e., metastatic) forms. Primary neoplasms are subdivided into benign and malignant forms. In general, brain tumors may also be classified by age of onset, histologic type, or presenting location in the brain.	0	2.61	2	0
Glioma Benign and malignant central nervous system neoplasms derived from glial cells (i.e., astrocytes, oligodendrocytes, and ependymocytes). Astrocytes may give rise to astrocytomas (ASTROCYTOMA) or glioblastoma multiforme (see GLIOBLASTOMA). Oligodendrocytes give rise to oligodendrogliomas (OLIGODENDROGLIOMA) and ependymocytes may undergo transformation to become EPENDYMOMA; CHOROID PLEXUS NEOPLASMS; or colloid cysts of the third ventricle. (From Escourolle et al., Manual of Basic Neuropathology, 2nd ed, p21)	0	2.31	1	0
Benign Neoplasms [description not available]	0	7.03	5	2
Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.	1	9.03	5	2
Carcinoma, Small Cell Lung [description not available]	0	3.99	1	1
Female Genital Neoplasms [description not available]	0	3.99	1	1
Cancer of Lung [description not available]	0	4.33	3	1
Local Neoplasm Recurrence [description not available]	0	5.04	4	2
Genital Neoplasms, Female Tumor or cancer of the female reproductive tract (GENITALIA, FEMALE).	0	3.99	1	1
Lung Neoplasms Tumors or cancer of the LUNG.	0	4.33	3	1
Small Cell Lung Carcinoma A form of highly malignant lung cancer that is composed of small ovoid cells (SMALL CELL CARCINOMA).	0	3.99	1	1
Kahler Disease [description not available]	0	4.46	4	1
Multiple Myeloma A malignancy of mature PLASMA CELLS engaging in monoclonal immunoglobulin production. It is characterized by hyperglobulinemia, excess Bence-Jones proteins (free monoclonal IMMUNOGLOBULIN LIGHT CHAINS) in the urine, skeletal destruction, bone pain, and fractures. Other features include ANEMIA; HYPERCALCEMIA; and RENAL INSUFFICIENCY.	1	11.46	4	1
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	0	4.66	5	1
Acute Lymphoid Leukemia [description not available]	0	2.58	2	0
Precursor Cell Lymphoblastic Leukemia-Lymphoma A neoplasm characterized by abnormalities of the lymphoid cell precursors leading to excessive lymphoblasts in the marrow and other organs. It is the most common cancer in children and accounts for the vast majority of all childhood leukemias.	0	2.58	2	0
Cancer of Colon [description not available]	0	2.25	1	0
Colonic Neoplasms Tumors or cancer of the COLON.	0	2.25	1	0
Bladder Cancer [description not available]	0	2.25	1	0
Urinary Bladder Neoplasms Tumors or cancer of the URINARY BLADDER.	0	2.25	1	0
Breast Cancer [description not available]	0	8.31	5	0
Breast Neoplasms Tumors or cancer of the human BREAST.	1	5.31	5	0
Infections, Plasmodium [description not available]	0	2.25	1	0
Malaria A protozoan disease caused in humans by four species of the PLASMODIUM genus: PLASMODIUM FALCIPARUM; PLASMODIUM VIVAX; PLASMODIUM OVALE; and PLASMODIUM MALARIAE; and transmitted by the bite of an infected female mosquito of the genus ANOPHELES. Malaria is endemic in parts of Asia, Africa, Central and South America, Oceania, and certain Caribbean islands. It is characterized by extreme exhaustion associated with paroxysms of high FEVER; SWEATING; shaking CHILLS; and ANEMIA. Malaria in ANIMALS is caused by other species of plasmodia.	0	2.25	1	0
Carcinoma, Ductal, Breast An invasive (infiltrating) CARCINOMA of the mammary ductal system (MAMMARY GLANDS) in the human BREAST.	0	2.25	1	0
Hepatitis B Virus Infection [description not available]	0	2.31	1	0
Hepatitis B INFLAMMATION of the LIVER in humans caused by a member of the ORTHOHEPADNAVIRUS genus, HEPATITIS B VIRUS. It is primarily transmitted by parenteral exposure, such as transfusion of contaminated blood or blood products, but can also be transmitted via sexual or intimate personal contact.	0	2.31	1	0
Pulmonary Consumption [description not available]	0	2.31	1	0
Tuberculosis, Pulmonary MYCOBACTERIUM infections of the lung.	0	2.31	1	0
Bone Cancer [description not available]	0	2.59	2	0
Osteogenic Sarcoma [description not available]	0	2.59	2	0
Bone Neoplasms Tumors or cancer located in bone tissue or specific BONES.	0	2.59	2	0
Osteosarcoma A sarcoma originating in bone-forming cells, affecting the ends of long bones. It is the most common and most malignant of sarcomas of the bones, and occurs chiefly among 10- to 25-year-old youths. (From Stedman, 25th ed)	0	7.59	2	0
Agnogenic Myeloid Metaplasia [description not available]	0	4.62	1	1
Myeloproliferative Disorders Conditions which cause proliferation of hemopoietically active tissue or of tissue which has embryonic hemopoietic potential. They all involve dysregulation of multipotent MYELOID PROGENITOR CELLS, most often caused by a mutation in the JAK2 PROTEIN TYROSINE KINASE.	0	4.62	1	1
Primary Myelofibrosis A de novo myeloproliferation arising from an abnormal stem cell. It is characterized by the replacement of bone marrow by fibrous tissue, a process that is mediated by CYTOKINES arising from the abnormal clone.	1	8.05	2	2
Hepatocellular Carcinoma [description not available]	0	3.02	4	0
Carcinoma, Hepatocellular A primary malignant neoplasm of epithelial liver cells. It ranges from a well-differentiated tumor with EPITHELIAL CELLS indistinguishable from normal HEPATOCYTES to a poorly differentiated neoplasm. The cells may be uniform or markedly pleomorphic, or form GIANT CELLS. Several classification schemes have been suggested.	0	3.02	4	0
Experimental Neoplasms [description not available]	0	2.15	1	0
Necrosis The death of cells in an organ or tissue due to disease, injury or failure of the blood supply.	0	2.54	2	0
Neuroblastoma A common neoplasm of early childhood arising from neural crest cells in the sympathetic nervous system, and characterized by diverse clinical behavior, ranging from spontaneous remission to rapid metastatic progression and death. This tumor is the most common intraabdominal malignancy of childhood, but it may also arise from thorax, neck, or rarely occur in the central nervous system. Histologic features include uniform round cells with hyperchromatic nuclei arranged in nests and separated by fibrovascular septa. Neuroblastomas may be associated with the opsoclonus-myoclonus syndrome. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2099-2101; Curr Opin Oncol 1998 Jan;10(1):43-51)	0	2.86	3	0
Rhabdomyosarcoma A malignant solid tumor arising from mesenchymal tissues which normally differentiate to form striated muscle. It can occur in a wide variety of sites. It is divided into four distinct types: pleomorphic, predominantly in male adults; alveolar (RHABDOMYOSARCOMA, ALVEOLAR), mainly in adolescents and young adults; embryonal (RHABDOMYOSARCOMA, EMBRYONAL), predominantly in infants and children; and botryoidal, also in young children. It is one of the most frequently occurring soft tissue sarcomas and the most common in children under 15. (From Dorland, 27th ed; Holland et al., Cancer Medicine, 3d ed, p2186; DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, pp1647-9)	0	2.84	3	0
B-Cell Lymphoma [description not available]	0	7.17	1	0
Lymphoma, B-Cell A group of heterogeneous lymphoid tumors generally expressing one or more B-cell antigens or representing malignant transformations of B-lymphocytes.	0	2.17	1	0
Atrophy, Muscle [description not available]	0	2.21	1	0
Muscular Atrophy Derangement in size and number of muscle fibers occurring with aging, reduction in blood supply, or following immobilization, prolonged weightlessness, malnutrition, and particularly in denervation.	0	2.21	1	0
ER-Negative PR-Negative HER2-Negative Breast Cancer [description not available]	0	2.21	1	0
Triple Negative Breast Neoplasms Breast neoplasms that do not express ESTROGEN RECEPTORS; PROGESTERONE RECEPTORS; and do not overexpress the NEU RECEPTOR/HER-2 PROTO-ONCOGENE PROTEIN.	0	2.21	1	0
Granuloma, Hodgkin [description not available]	0	2.08	1	0
Hodgkin Disease A malignant disease characterized by progressive enlargement of the lymph nodes, spleen, and general lymphoid tissue. In the classical variant, giant usually multinucleate Hodgkin's and REED-STERNBERG CELLS are present; in the nodular lymphocyte predominant variant, lymphocytic and histiocytic cells are seen.	0	2.08	1	0
Esophageal Squamous Cell Carcinoma A carcinoma that originates usually from cells on the surface of the middle and lower third of the ESOPHAGUS. Tumor cells exhibit typical squamous morphology and form large polypoid lesions. Mutations in RNF6, LZTS1, TGFBR2, DEC1, and WWOX1 genes are associated with this cancer.	0	2.1	1	0
Carcinoma, Epidermoid [description not available]	0	2.52	2	0
Cancer of Esophagus [description not available]	0	2.1	1	0
Carcinoma, Squamous Cell A carcinoma derived from stratified SQUAMOUS EPITHELIAL CELLS. It may also occur in sites where glandular or columnar epithelium is normally present. (From Stedman, 25th ed)	0	2.52	2	0
Esophageal Neoplasms Tumors or cancer of the ESOPHAGUS.	0	2.1	1	0
Symptom Cluster [description not available]	0	4.4	1	1
Emesis [description not available]	0	4.4	1	1
Diarrhea An increased liquidity or decreased consistency of FECES, such as running stool. Fecal consistency is related to the ratio of water-holding capacity of insoluble solids to total water, rather than the amount of water present. Diarrhea is not hyperdefecation or increased fecal weight.	0	4.4	1	1
Nausea An unpleasant sensation in the stomach usually accompanied by the urge to vomit. Common causes are early pregnancy, sea and motion sickness, emotional stress, intense pain, food poisoning, and various enteroviruses.	0	4.4	1	1
Syndrome A characteristic symptom complex.	0	4.4	1	1
Vomiting The forcible expulsion of the contents of the STOMACH through the MOUTH.	0	4.4	1	1
Cancer of Head [description not available]	0	2.13	1	0
Head and Neck Neoplasms Soft tissue tumors or cancer arising from the mucosal surfaces of the LIP; oral cavity; PHARYNX; LARYNX; and cervical esophagus. Other sites included are the NOSE and PARANASAL SINUSES; SALIVARY GLANDS; THYROID GLAND and PARATHYROID GLANDS; and MELANOMA and non-melanoma skin cancers of the head and neck. (from Holland et al., Cancer Medicine, 4th ed, p1651)	0	2.13	1	0
Genetic Predisposition [description not available]	0	2.13	1	0
Benign Cerebellar Neoplasms [description not available]	0	2.13	1	0
Arachnoidal Cerebellar Sarcoma, Circumscribed [description not available]	0	2.13	1	0
Medulloblastoma A malignant neoplasm that may be classified either as a glioma or as a primitive neuroectodermal tumor of childhood (see NEUROECTODERMAL TUMOR, PRIMITIVE). The tumor occurs most frequently in the first decade of life with the most typical location being the cerebellar vermis. Histologic features include a high degree of cellularity, frequent mitotic figures, and a tendency for the cells to organize into sheets or form rosettes. Medulloblastoma have a high propensity to spread throughout the craniospinal intradural axis. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2060-1)	0	2.13	1	0
Carcinoma, Non-Small Cell Lung [description not available]	0	2.13	1	0
Carcinoma, Non-Small-Cell Lung A heterogeneous aggregate of at least three distinct histological types of lung cancer, including SQUAMOUS CELL CARCINOMA; ADENOCARCINOMA; and LARGE CELL CARCINOMA. They are dealt with collectively because of their shared treatment strategy.	0	2.13	1	0
Astrocytoma, Grade IV [description not available]	0	2.15	1	0
Glioblastoma A malignant form of astrocytoma histologically characterized by pleomorphism of cells, nuclear atypia, microhemorrhage, and necrosis. They may arise in any region of the central nervous system, with a predilection for the cerebral hemispheres, basal ganglia, and commissural pathways. Clinical presentation most frequently occurs in the fifth or sixth decade of life with focal neurologic signs or seizures.	0	2.15	1	0
Experimental Hepatoma [description not available]	0	2.07	1	0

lcl161

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Synonyms (38)

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Overview

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Treatment

Compound-Compound Interactions

Bioavailability

Dosage Studied

Roles (2)

Drug Classes (5)

Protein Targets (7)

Potency Measurements

Inhibition Measurements

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Biological Processes (84)

Molecular Functions (21)

Ceullar Components (12)

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Studies (69)

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Research Demand Index: 31.86

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lcl161

Cross-References

Synonyms (38)

Research Excerpts

Overview

Actions

Treatment

Compound-Compound Interactions

Bioavailability

Dosage Studied

Roles (2)

Drug Classes (5)

Protein Targets (7)

Potency Measurements

Inhibition Measurements

Activation Measurements

Biological Processes (84)

Molecular Functions (21)

Ceullar Components (12)

Bioassays (91)

Research

Studies (69)

Market Indicators

Research Demand Index: 31.86

Study Types

Related Drugs (31)

Related Conditions (82)