benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester profile

ID Source	ID
PubMed CID	875199
CHEMBL ID	1412555
CHEBI ID	121150

Synonym
(2-oxo-2-thiophen-2-ylethyl) benzoate
smr000106759
MLS000110830 ,
CHEBI:121150
AKOS002273841
HMS2363H09
2-oxo-2-(2-thienyl)ethyl benzoate
F1018-1379
326886-39-9
2-oxo-2-(thiophen-2-yl)ethyl benzoate
benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester
bdbm49334
cid_875199
benzoic acid [2-keto-2-(2-thienyl)ethyl] ester
(2-oxidanylidene-2-thiophen-2-yl-ethyl) benzoate
AP-263/13890780
CHEMBL1412555
Q27209397
SR-01000229611-1
sr-01000229611

Class	Description
benzoate ester	Esters of benzoic acid or substituted benzoic acids.
[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 (17)

Potency Measurements

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, Ferritin light chain	Equus caballus (horse)	Potency	25.1189	5.6234	17.2929	31.6228	AID485281
Luciferase	Photinus pyralis (common eastern firefly)	Potency	6.7711	0.0072	15.7588	89.3584	AID411; AID588342
ATAD5 protein, partial	Homo sapiens (human)	Potency	20.7329	0.0041	10.8903	31.5287	AID504466; AID504467
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	12.5893	0.0112	12.4002	100.0000	AID1030
nonstructural protein 1	Influenza A virus (A/WSN/1933(H1N1))	Potency	22.3872	0.2818	9.7212	35.4813	AID2326
luciferase	Photuris pensylvanica (Pennsylania firefly)	Potency	8.9125	0.8913	10.4328	20.5750	AID1379
pyruvate kinase	Leishmania mexicana mexicana	Potency	15.8489	0.3981	13.7447	31.6228	AID1721; AID1722
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	0.7079	0.0355	20.9770	89.1251	AID504332
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1	Homo sapiens (human)	Potency	14.1254	0.0018	15.6638	39.8107	AID894
chromobox protein homolog 1	Homo sapiens (human)	Potency	89.1251	0.0060	26.1688	89.1251	AID540317
nuclear factor erythroid 2-related factor 2 isoform 2	Homo sapiens (human)	Potency	7.3078	0.0041	9.9848	25.9290	AID504444
Endothelin receptor type B	Rattus norvegicus (Norway rat)	Potency	15.8489	0.5623	15.1609	31.6228	AID1721
Endothelin-1 receptor	Rattus norvegicus (Norway rat)	Potency	15.8489	0.5623	15.1609	31.6228	AID1721
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
nuclear factor NF-kappa-B p105 subunit isoform 1	Homo sapiens (human)	EC50 (µMol)	12.5590	0.0590	5.5596	27.2100	AID1241
transcription factor p65 isoform 1	Homo sapiens (human)	EC50 (µMol)	12.5590	0.0590	5.5596	27.2100	AID1241
Estrogen receptor beta	Mus musculus (house mouse)	EC50 (µMol)	12.5590	0.0590	5.5596	27.2100	AID1241
Estrogen receptor	Mus musculus (house mouse)	EC50 (µMol)	12.5590	0.0590	5.5596	27.2100	AID1241
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (14)

Assay ID	Title	Year	Journal	Article
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. 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.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. 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.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. 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.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal of biomolecular screening, Jul, Volume: 21, Issue:6	A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
[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	1 (16.67)	29.6817
2010's	4 (66.67)	24.3611
2020's	1 (16.67)	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	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	6 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Condition	Relationship Strength	Studies
Innate Inflammatory Response [description not available]	2.05	1
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	2.05	1
Anemia, Fanconi [description not available]	2.13	1
Fanconi Anemia Congenital disorder affecting all bone marrow elements, resulting in ANEMIA; LEUKOPENIA; and THROMBOPENIA, and associated with cardiac, renal, and limb malformations as well as dermal pigmentary changes. Spontaneous CHROMOSOME BREAKAGE is a feature of this disease along with predisposition to LEUKEMIA. There are at least 7 complementation groups in Fanconi anemia: FANCA, FANCB, FANCC, FANCD1, FANCD2, FANCE, FANCF, FANCG, and FANCL. (from Online Mendelian Inheritance in Man, http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=227650, August 20, 2004)	2.13	1

benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester

Cross-References

Synonyms (20)

Drug Classes (1)

Protein Targets (17)

Potency Measurements

Activation Measurements

Bioassays (14)

Research

Studies (6)

Market Indicators

Research Demand Index: 12.35

Study Types

benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester

Cross-References

Synonyms (20)

Drug Classes (1)

Protein Targets (17)

Potency Measurements

Activation Measurements

Bioassays (14)

Research

Studies (6)

Market Indicators

Research Demand Index: 12.35

Study Types

Related Conditions (4)