Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50313233'   

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))	BDBM50313233 ((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(10-{[(1R,9R,...) Show SMILES OC(CCCCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:27:26:18:32.15.16| Show InChI InChI=1S/C52H76N2O4/c55-41(35-57-43-21-19-39-29-49-45-17-5-7-23-51(45,47(39)31-43)25-27-53(49)33-37-11-9-12-37)15-3-1-2-4-16-42(56)36-58-44-22-20-40-30-50-46-18-6-8-24-52(46,48(40)32-44)26-28-54(50)34-38-13-10-14-38/h19-22,31-32,37-38,41-42,45-46,49-50,55-56H,1-18,23-30,33-36H2/t41?,42?,45-,46-,49+,50+,51+,52+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	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]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 1507-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.101 BindingDB Entry DOI: 10.7270/Q2251JBF
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