Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 283.7 BDBM50179971

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))	BDBM50179971 (1-(2-chloro-6H-dibenzo[b,f]azocin-5-yl)-ethanone |...) Show SMILES CC(=O)N1Cc2ccccc2\C=C/c2cc(Cl)ccc12 |c:12| Show InChI InChI=1S/C17H14ClNO/c1-12(20)19-11-15-5-3-2-4-13(15)6-7-14-10-16(18)8-9-17(14)19/h2-10H,11H2,1H3/b7-6-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	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))	BDBM50179971 (1-(2-chloro-6H-dibenzo[b,f]azocin-5-yl)-ethanone |...) Show SMILES CC(=O)N1Cc2ccccc2\C=C/c2cc(Cl)ccc12 |c:12| Show InChI InChI=1S/C17H14ClNO/c1-12(20)19-11-15-5-3-2-4-13(15)6-7-14-10-16(18)8-9-17(14)19/h2-10H,11H2,1H3/b7-6-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	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