Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50325527'   

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))	BDBM50325527 (CHEMBL1223774) Show SMILES Cn1c(C=CC(=O)Cc2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r,w:3.2| Show InChI InChI=1S/C33H34N2O4/c1-34-24(10-11-25(36)15-20-5-3-2-4-6-20)16-23-18-33(38)27-17-22-9-12-26(37)30-28(22)32(33,31(39-30)29(23)34)13-14-35(27)19-21-7-8-21/h2-6,9-12,16,21,27,31,37-38H,7-8,13-15,17-19H2,1H3/t27-,31+,32+,33-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.13	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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