Page last updated: 2024-11-08

nsc13345

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth

Description

NSC13345: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID224665
CHEMBL ID1458632
CHEBI ID116318
SCHEMBL ID18107146
MeSH IDM000610436

Synonyms (21)

Synonym
2-[(2-carbamoylsulfanylacetyl)amino]benzoic acid
mls000737416 ,
nsc-13345
nsc13345
5429-02-7
smr000528134
CHEBI:116318
2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid
HMS2882L17
bdbm52006
2-[[2-(carbamoylthio)-1-oxoethyl]amino]benzoic acid
2-(2-aminocarbonylsulfanylethanoylamino)benzoic acid
cid_224665
2-[[2-(carbamoylthio)acetyl]amino]benzoic acid
CHEMBL1458632
Q27199182
4LEG
DTXSID70279600
SCHEMBL18107146
1xf ,
2-[(2-carbamoylsulphanylacetyl)-amino]benzoic acid
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
amidobenzoic acid
[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 Targets (13)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency100.00000.044717.8581100.0000AID485294
Chain A, Putative fructose-1,6-bisphosphate aldolaseGiardia intestinalisPotency15.84890.140911.194039.8107AID2451
thioredoxin reductaseRattus norvegicus (Norway rat)Potency11.22020.100020.879379.4328AID588453
phosphopantetheinyl transferaseBacillus subtilisPotency17.78280.141337.9142100.0000AID1490
Microtubule-associated protein tauHomo sapiens (human)Potency20.08500.180013.557439.8107AID1460; AID1468
regulator of G-protein signaling 4Homo sapiens (human)Potency17.78280.531815.435837.6858AID504845
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency50.11870.035520.977089.1251AID504332
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency79.43280.354828.065989.1251AID504847
histone-lysine N-methyltransferase 2A isoform 2 precursorHomo sapiens (human)Potency63.09570.010323.856763.0957AID2662
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
metallo beta-lactamasePseudomonas aeruginosaIC50 (µMol)8.80700.03392.91006.2480AID1919; AID1926
metallo-beta-lactamase IMP-1Pseudomonas aeruginosaIC50 (µMol)41.86103.24105.96858.6960AID1920; AID1927
Cathepsin KHomo sapiens (human)IC50 (µMol)80.00000.00010.848210.0000AID1607633
Beta lactamase (plasmid)Pseudomonas aeruginosaIC50 (µMol)59.64000.70915.05497.7510AID1925
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (20)

Processvia Protein(s)Taxonomy
collagen catabolic processCathepsin KHomo sapiens (human)
mitophagyCathepsin KHomo sapiens (human)
intramembranous ossificationCathepsin KHomo sapiens (human)
proteolysisCathepsin KHomo sapiens (human)
thyroid hormone generationCathepsin KHomo sapiens (human)
apoptotic processCathepsin KHomo sapiens (human)
response to organic cyclic compoundCathepsin KHomo sapiens (human)
extracellular matrix disassemblyCathepsin KHomo sapiens (human)
collagen catabolic processCathepsin KHomo sapiens (human)
response to insulinCathepsin KHomo sapiens (human)
cellular response to zinc ion starvationCathepsin KHomo sapiens (human)
bone resorptionCathepsin KHomo sapiens (human)
response to ethanolCathepsin KHomo sapiens (human)
proteolysis involved in protein catabolic processCathepsin KHomo sapiens (human)
negative regulation of cartilage developmentCathepsin KHomo sapiens (human)
cellular response to tumor necrosis factorCathepsin KHomo sapiens (human)
cellular response to transforming growth factor beta stimulusCathepsin KHomo sapiens (human)
mononuclear cell differentiationCathepsin KHomo sapiens (human)
positive regulation of apoptotic signaling pathwayCathepsin KHomo sapiens (human)
positive regulation of peptidase activityCathepsin KHomo sapiens (human)
immune responseCathepsin KHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (8)

Processvia Protein(s)Taxonomy
fibronectin bindingCathepsin KHomo sapiens (human)
cysteine-type endopeptidase activityCathepsin KHomo sapiens (human)
serine-type endopeptidase activityCathepsin KHomo sapiens (human)
protein bindingCathepsin KHomo sapiens (human)
collagen bindingCathepsin KHomo sapiens (human)
cysteine-type peptidase activityCathepsin KHomo sapiens (human)
proteoglycan bindingCathepsin KHomo sapiens (human)
cysteine-type endopeptidase activator activity involved in apoptotic processCathepsin KHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (9)

Processvia Protein(s)Taxonomy
extracellular regionCathepsin KHomo sapiens (human)
extracellular spaceCathepsin KHomo sapiens (human)
nucleoplasmCathepsin KHomo sapiens (human)
lysosomeCathepsin KHomo sapiens (human)
external side of plasma membraneCathepsin KHomo sapiens (human)
apical plasma membraneCathepsin KHomo sapiens (human)
endolysosome lumenCathepsin KHomo sapiens (human)
lysosomal lumenCathepsin KHomo sapiens (human)
intracellular membrane-bounded organelleCathepsin KHomo sapiens (human)
extracellular spaceCathepsin KHomo sapiens (human)
lysosomeCathepsin KHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (19)

Assay IDTitleYearJournalArticle
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1313261Inhibition of chymotrypsin like activity of 20S proteasome (unknown origin) using suc-leu-leu-val-tyr-AMC as substrate at 10 uM after 40 mins in presence of calcium by fluorescence assay2016Bioorganic & medicinal chemistry letters, 08-01, Volume: 26, Issue:15
Cupriphilic compounds to aid in proteasome inhibition.
AID1607633Inhibition of cathepsin K (unknown origin)2019Journal of medicinal chemistry, 07-25, Volume: 62, Issue:14
Allosteric Modulator Discovery: From Serendipity to Structure-Based Design.
AID1313262Inhibition of chymotrypsin like activity of 20S proteasome (unknown origin) using suc-leu-leu-val-tyr-AMC as substrate at 10 uM after 40 mins in presence of iron by fluorescence assay2016Bioorganic & medicinal chemistry letters, 08-01, Volume: 26, Issue:15
Cupriphilic compounds to aid in proteasome inhibition.
AID1313260Inhibition of chymotrypsin like activity of 20S proteasome (unknown origin) using suc-leu-leu-val-tyr-AMC as substrate at 10 uM after 40 mins in presence of nickel by fluorescence assay2016Bioorganic & medicinal chemistry letters, 08-01, Volume: 26, Issue:15
Cupriphilic compounds to aid in proteasome inhibition.
AID1313263Inhibition of chymotrypsin like activity of 20S proteasome (unknown origin) using suc-leu-leu-val-tyr-AMC as substrate at 10 uM after 40 mins in presence of zinc by fluorescence assay2016Bioorganic & medicinal chemistry letters, 08-01, Volume: 26, Issue:15
Cupriphilic compounds to aid in proteasome inhibition.
AID1313259Inhibition of chymotrypsin like activity of 20S proteasome (unknown origin) using suc-leu-leu-val-tyr-AMC as substrate at 10 uM after 40 mins in presence of 1 uM copper by fluorescence assay2016Bioorganic & medicinal chemistry letters, 08-01, Volume: 26, Issue:15
Cupriphilic compounds to aid in proteasome inhibition.
AID977610Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB2014Nature communications, , Volume: 5A novel allosteric mechanism in the cysteine peptidase cathepsin K discovered by computational methods.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (10)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (10.00)29.6817
2010's8 (80.00)24.3611
2020's1 (10.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other10 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]