BDBM50381558 CHEMBL2018232

SMILES: Oc1ccc(\C=C2/OC(=O)N(C2=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br

InChI Key: InChIKey=ACBAWLWNKPTRPW-MOSHPQCFSA-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 = 50381558   

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))	BDBM50381558 (CHEMBL2018232) Show SMILES Oc1ccc(\C=C2/OC(=O)N(C2=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br Show InChI InChI=1S/C23H21BrN2O5/c24-18-12-14(6-11-19(18)27)13-20-22(29)26(23(30)31-20)17-9-7-16(8-10-17)25-21(28)15-4-2-1-3-5-15/h6-13,15,27H,1-5H2,(H,25,28)/b20-13-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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