BDBM50360767 CHEMBL1934493

SMILES: COc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(O)c(Br)c2)C1=O

InChI Key: InChIKey=HEFKAUYVLSGPGC-DHDCSXOGSA-N

Data: 4 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 4 hits for monomerid = 50360767   

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))	BDBM50360767 (CHEMBL1934493) Show SMILES COc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(O)c(Br)c2)C1=O Show InChI InChI=1S/C17H12BrNO3S2/c1-22-12-5-3-11(4-6-12)19-16(21)15(24-17(19)23)9-10-2-7-14(20)13(18)8-10/h2-9,20H,1H3/b15-9-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Chemical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 in human testes homogenate				Bioorg Med Chem Lett 22: 504-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.095 BindingDB Entry DOI: 10.7270/Q2BG2PFD
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50360767 (CHEMBL1934493) Show SMILES COc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(O)c(Br)c2)C1=O Show InChI InChI=1S/C17H12BrNO3S2/c1-22-12-5-3-11(4-6-12)19-16(21)15(24-17(19)23)9-10-2-7-14(20)13(18)8-10/h2-9,20H,1H3/b15-9-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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
Testosterone 17-beta-dehydrogenase 3 (Mus musculus)	BDBM50360767 (CHEMBL1934493) Show SMILES COc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(O)c(Br)c2)C1=O Show InChI InChI=1S/C17H12BrNO3S2/c1-22-12-5-3-11(4-6-12)19-16(21)15(24-17(19)23)9-10-2-7-14(20)13(18)8-10/h2-9,20H,1H3/b15-9-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Chemical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 in mouse testes homogenate				Bioorg Med Chem Lett 22: 504-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.095 BindingDB Entry DOI: 10.7270/Q2BG2PFD
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50360767 (CHEMBL1934493) Show SMILES COc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(O)c(Br)c2)C1=O Show InChI InChI=1S/C17H12BrNO3S2/c1-22-12-5-3-11(4-6-12)19-16(21)15(24-17(19)23)9-10-2-7-14(20)13(18)8-10/h2-9,20H,1H3/b15-9-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Chemical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human 17beta-HSD3 expressed in HeLa cells assessed as conversion of 4-androstene-3,17-dione to testosterone				Bioorg Med Chem Lett 22: 504-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.095 BindingDB Entry DOI: 10.7270/Q2BG2PFD
					More data for this Ligand-Target Pair