Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50290969'   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50290969 (2-(4-Chloro-phenyl)-3-phenyl-cycloprop-2-enecarbox...) Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)C1C(=C1c1ccc(Cl)cc1)c1ccccc1 |c:18| Show InChI InChI=1S/C27H31ClN2O/c1-29(22-11-5-6-12-23(22)30-17-7-8-18-30)27(31)26-24(19-9-3-2-4-10-19)25(26)20-13-15-21(28)16-14-20/h2-4,9-10,13-16,22-23,26H,5-8,11-12,17-18H2,1H3/t22-,23-,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Opioid receptor kappa 1 as reduced contraction in electrically stimulated rabbit vas deferens				Bioorg Med Chem Lett 7: 291-296 (1997) Article DOI: 10.1016/S0960-894X(96)00615-4 BindingDB Entry DOI: 10.7270/Q2G160VS
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