BDBM50179970 1-[2-chloro-8-(4-methoxy-phenyl)-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl]-ethanone::CHEMBL206217

SMILES: COc1ccc(cc1)-c1ccc2CCc3cc(Cl)ccc3N(Cc2c1)C(C)=O

InChI Key: InChIKey=RBQSRGDVFODWBU-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 = 50179970   

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))	BDBM50179970 (1-[2-chloro-8-(4-methoxy-phenyl)-11,12-dihydro-6H-...) Show SMILES COc1ccc(cc1)-c1ccc2CCc3cc(Cl)ccc3N(Cc2c1)C(C)=O Show InChI InChI=1S/C24H22ClNO2/c1-16(27)26-15-21-13-19(17-7-10-23(28-2)11-8-17)5-3-18(21)4-6-20-14-22(25)9-12-24(20)26/h3,5,7-14H,4,6,15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	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))	BDBM50179970 (1-[2-chloro-8-(4-methoxy-phenyl)-11,12-dihydro-6H-...) Show SMILES COc1ccc(cc1)-c1ccc2CCc3cc(Cl)ccc3N(Cc2c1)C(C)=O Show InChI InChI=1S/C24H22ClNO2/c1-16(27)26-15-21-13-19(17-7-10-23(28-2)11-8-17)5-3-18(21)4-6-20-14-22(25)9-12-24(20)26/h3,5,7-14H,4,6,15H2,1-2H3	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