BDBM50179934 4-(5-acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[b,f]azocin-8-yl)-benzonitrile::CHEMBL204349

SMILES: CC(=O)N1Cc2cc(ccc2CCc2cc(Cl)ccc12)-c1ccc(cc1)C#N

InChI Key: InChIKey=IFFJTEDPKBVRRA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50179934   

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))	BDBM50179934 (4-(5-acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[...) Show SMILES CC(=O)N1Cc2cc(ccc2CCc2cc(Cl)ccc12)-c1ccc(cc1)C#N Show InChI InChI=1S/C24H19ClN2O/c1-16(28)27-15-22-12-20(18-4-2-17(14-26)3-5-18)8-6-19(22)7-9-21-13-23(25)10-11-24(21)27/h2-6,8,10-13H,7,9,15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50179934 (4-(5-acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[...) Show SMILES CC(=O)N1Cc2cc(ccc2CCc2cc(Cl)ccc12)-c1ccc(cc1)C#N Show InChI InChI=1S/C24H19ClN2O/c1-16(28)27-15-22-12-20(18-4-2-17(14-26)3-5-18)8-6-19(22)7-9-21-13-23(25)10-11-24(21)27/h2-6,8,10-13H,7,9,15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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