Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 331.2 BDBM50179952

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50179952 (9-bromo-11,12-dihydro-6H-dibenzo[b,f]azocine-5-car...) Show SMILES NC(=O)N1Cc2ccc(Br)cc2CCc2ccccc12 Show InChI InChI=1S/C16H15BrN2O/c17-14-8-7-13-10-19(16(18)20)15-4-2-1-3-11(15)5-6-12(13)9-14/h1-4,7-9H,5-6,10H2,(H2,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3				Bioorg Med Chem Lett 16: 1532-6 (2006) Article DOI: 10.1016/j.bmcl.2005.12.039 BindingDB Entry DOI: 10.7270/Q2CV4HBV
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50179952 (9-bromo-11,12-dihydro-6H-dibenzo[b,f]azocine-5-car...) Show SMILES NC(=O)N1Cc2ccc(Br)cc2CCc2ccccc12 Show InChI InChI=1S/C16H15BrN2O/c17-14-8-7-13-10-19(16(18)20)15-4-2-1-3-11(15)5-6-12(13)9-14/h1-4,7-9H,5-6,10H2,(H2,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 by SEAP assay				Bioorg Med Chem Lett 16: 1532-6 (2006) Article DOI: 10.1016/j.bmcl.2005.12.039 BindingDB Entry DOI: 10.7270/Q2CV4HBV
					More data for this Ligand-Target Pair