BDBM50381562 CHEMBL2018129

SMILES: Oc1ccc(\C=C2/SC(=S)N(CC#C)C2=O)cc1Br

InChI Key: InChIKey=YKSCLZXRCVZIRW-XFFZJAGNSA-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 = 50381562   

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))	BDBM50381562 (CHEMBL2018129) Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC#C)C2=O)cc1Br Show InChI InChI=1S/C13H8BrNO2S2/c1-2-5-15-12(17)11(19-13(15)18)7-8-3-4-10(16)9(14)6-8/h1,3-4,6-7,16H,5H2/b11-7-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	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