BDBM50381593 CHEMBL2018246

SMILES: COc1ccc(cc1)N1C(=S)O\C(=C/c2ccc(O)cc2)C1=O

InChI Key: InChIKey=HIARYVBUAJHLLG-GDNBJRDFSA-N

Data: 1 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 1 hit for monomerid = 50381593   

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
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50381593 (CHEMBL2018246) Show SMILES COc1ccc(cc1)N1C(=S)O\C(=C/c2ccc(O)cc2)C1=O Show InChI InChI=1S/C17H13NO4S/c1-21-14-8-4-12(5-9-14)18-16(20)15(22-17(18)23)10-11-2-6-13(19)7-3-11/h2-10,19H,1H3/b15-10-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Chemical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant 17-beta-HSD3 expressed in human HeLa cells using androstenedione as substrate preincubated for 30 mins prior substrat...				Bioorg Med Chem 20: 3242-54 (2012) Article DOI: 10.1016/j.bmc.2012.03.052 BindingDB Entry DOI: 10.7270/Q2RF5W2G
					More data for this Ligand-Target Pair