BDBM50381569 CHEMBL2018138

SMILES: Oc1ccc(\C=C2/OC(=S)N(C2=O)c2ccc3OCOc3c2)cc1Br

InChI Key: InChIKey=INMJUKSTSHEVPE-UUASQNMZSA-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 = 50381569   

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))	BDBM50381569 (CHEMBL2018138) Show SMILES Oc1ccc(\C=C2/OC(=S)N(C2=O)c2ccc3OCOc3c2)cc1Br Show InChI InChI=1S/C17H10BrNO5S/c18-11-5-9(1-3-12(11)20)6-15-16(21)19(17(25)24-15)10-2-4-13-14(7-10)23-8-22-13/h1-7,20H,8H2/b15-6-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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