Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50290971'   

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))	BDBM50290971 (2,3-Diphenyl-cycloprop-2-enecarboxylic acid methyl...) Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)C1C(=C1c1ccccc1)c1ccccc1 |c:18| Show InChI InChI=1S/C27H32N2O/c1-28(22-16-8-9-17-23(22)29-18-10-11-19-29)27(30)26-24(20-12-4-2-5-13-20)25(26)21-14-6-3-7-15-21/h2-7,12-15,22-23,26H,8-11,16-19H2,1H3/t22-,23-/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	32	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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