Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50303622'   

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))	BDBM50303622 (CHEMBL569009 | Hexanedioic Acid Bis(17-N-cyclobuty...) Show SMILES Oc1cc2c(C[C@@H]3[C@@H]4CCCC[C@]24CCN3CC2CCC2)cc1CNC(=O)CCCCC(=O)NCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r| Show InChI InChI=1S/C50H70N4O4/c55-45-27-41-35(25-43-39-13-3-5-17-49(39,41)19-21-53(43)31-33-9-7-10-33)23-37(45)29-51-47(57)15-1-2-16-48(58)52-30-38-24-36-26-44-40-14-4-6-18-50(40,42(36)28-46(38)56)20-22-54(44)32-34-11-8-12-34/h23-24,27-28,33-34,39-40,43-44,55-56H,1-22,25-26,29-32H2,(H,51,57)(H,52,58)/t39-,40-,43+,44+,49+,50+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair