Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50272331'   

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))	BDBM50272331 ((1S,9R,10S)-4-(benzyloxy)-17-(cyclobutylmethyl)-17...) Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OCc3ccccc3)cc12 |r| Show InChI InChI=1S/C28H35NO2/c30-28-14-5-4-13-27(28)15-16-29(19-21-9-6-10-21)26(28)17-23-11-12-24(18-25(23)27)31-20-22-7-2-1-3-8-22/h1-3,7-8,11-12,18,21,26,30H,4-6,9-10,13-17,19-20H2/t26-,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	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 cell membrane				Bioorg Med Chem Lett 18: 4474-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.054 BindingDB Entry DOI: 10.7270/Q2K07423
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