Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50259286'   

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))	BDBM50259286 (8-(bis(2-chlorophenyl)methyl)-3-(4-fluorophenyl)-8...) Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(F)cc1 |TLB:1:3:10:6.7| Show InChI InChI=1S/C27H25Cl2FN2O/c28-23-7-3-1-5-21(23)25(22-6-2-4-8-24(22)29)32-19-13-14-20(32)16-27(15-19,26(31)33)17-9-11-18(30)12-10-17/h1-12,19-20,25H,13-16H2,(H2,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	752	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 2519-23 (2009) Article DOI: 10.1016/j.bmcl.2009.03.031 BindingDB Entry DOI: 10.7270/Q20V8CPS
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