Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 251.3 BDBM50179974

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))	BDBM50179974 (1-(11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl)-ethan...) Show SMILES CC(=O)N1Cc2ccccc2CCc2ccccc12 Show InChI InChI=1S/C17H17NO/c1-13(19)18-12-16-8-3-2-6-14(16)10-11-15-7-4-5-9-17(15)18/h2-9H,10-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	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))	BDBM50179974 (1-(11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl)-ethan...) Show SMILES CC(=O)N1Cc2ccccc2CCc2ccccc12 Show InChI InChI=1S/C17H17NO/c1-13(19)18-12-16-8-3-2-6-14(16)10-11-15-7-4-5-9-17(15)18/h2-9H,10-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	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