Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50325530'   

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 (Cavia porcellus (domestic guinea pig))	BDBM50325530 (CHEMBL1223833) Show SMILES CCCCCC(=O)C=Cc1cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c2n1C)[C@]3(CCN4CC1CC1)c56 |r,w:8.8| Show InChI InChI=1S/C31H38N2O4/c1-3-4-5-6-23(34)11-10-22-15-21-17-31(36)25-16-20-9-12-24(35)28-26(20)30(31,29(37-28)27(21)32(22)2)13-14-33(25)18-19-7-8-19/h9-12,15,19,25,29,35-36H,3-8,13-14,16-18H2,1-2H3/t25-,29+,30+,31-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum				Bioorg Med Chem Lett 20: 5035-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.035 BindingDB Entry DOI: 10.7270/Q2CJ8DPH
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