Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50313232'   

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))	BDBM50313232 ((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(9-{[(1R,9R,1...) Show SMILES OC(CCCCCC(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:26:25:17:31.14.15| Show InChI InChI=1S/C51H74N2O4/c54-40(34-56-42-20-18-38-28-48-44-16-4-6-22-50(44,46(38)30-42)24-26-52(48)32-36-10-8-11-36)14-2-1-3-15-41(55)35-57-43-21-19-39-29-49-45-17-5-7-23-51(45,47(39)31-43)25-27-53(49)33-37-12-9-13-37/h18-21,30-31,36-37,40-41,44-45,48-49,54-55H,1-17,22-29,32-35H2/t40?,41?,44-,45-,48+,49+,50+,51+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	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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