Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50325532'   

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))	BDBM50325532 (CHEMBL1223889) Show SMILES Cn1c(\C=C\c2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r| Show InChI InChI=1S/C31H32N2O3/c1-32-23(11-9-19-5-3-2-4-6-19)15-22-17-31(35)25-16-21-10-12-24(34)28-26(21)30(31,29(36-28)27(22)32)13-14-33(25)18-20-7-8-20/h2-6,9-12,15,20,25,29,34-35H,7-8,13-14,16-18H2,1H3/b11-9+/t25-,29+,30+,31-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.79	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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