Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50272375'   

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))	BDBM50272375 ((1S,9R,10S)-17-(cyclobutylmethyl)-4-(2-phenylethox...) Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OCCc3ccccc3)cc12 |r| Show InChI InChI=1S/C29H37NO2/c31-29-15-5-4-14-28(29)16-17-30(21-23-9-6-10-23)27(29)19-24-11-12-25(20-26(24)28)32-18-13-22-7-2-1-3-8-22/h1-3,7-8,11-12,20,23,27,31H,4-6,9-10,13-19,21H2/t27-,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	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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