BDBM50429334 CHEMBL2334929

SMILES: CSc1ccc(\C=C(\C(O)=O)c2ccccc2)cc1

InChI Key: InChIKey=OJVMOKGIWJPLTE-RVDMUPIBSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50429334   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50429334 (CHEMBL2334929) Show SMILES CSc1ccc(\C=C(\C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H14O2S/c1-19-14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)/b15-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) (Homo sapiens (Human))	BDBM50429334 (CHEMBL2334929) Show SMILES CSc1ccc(\C=C(\C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H14O2S/c1-19-14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)/b15-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50429334 (CHEMBL2334929) Show SMILES CSc1ccc(\C=C(\C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H14O2S/c1-19-14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)/b15-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C1 expressed in Escherichia coli assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotome...				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair