Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 294.3 BDBM50179943

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))	BDBM50179943 (5-acetyl-5,6,11,12-tetrahydro-dibenzo[b,f]azocine-...) Show SMILES CC(=O)N1Cc2ccc(cc2CCc2ccccc12)C(N)=O Show InChI InChI=1S/C18H18N2O2/c1-12(21)20-11-16-9-8-15(18(19)22)10-14(16)7-6-13-4-2-3-5-17(13)20/h2-5,8-10H,6-7,11H2,1H3,(H2,19,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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))	BDBM50179943 (5-acetyl-5,6,11,12-tetrahydro-dibenzo[b,f]azocine-...) Show SMILES CC(=O)N1Cc2ccc(cc2CCc2ccccc12)C(N)=O Show InChI InChI=1S/C18H18N2O2/c1-12(21)20-11-16-9-8-15(18(19)22)10-14(16)7-6-13-4-2-3-5-17(13)20/h2-5,8-10H,6-7,11H2,1H3,(H2,19,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.98E+3	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