Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50402009'   

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))	BDBM50402009 (CHEMBL2205420) Show SMILES CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccccc4[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r| Show InChI InChI=1S/C28H34N2O3/c1-29(26(31)9-8-21-11-15-33-19-21)23-10-12-28(32)25-16-22-4-2-3-5-24(22)27(28,17-23)13-14-30(25)18-20-6-7-20/h2-5,8-9,11,15,19-20,23,25,32H,6-7,10,12-14,16-18H2,1H3/b9-8+/t23-,25+,27+,28+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.303	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]U-69,593 from kappa opioid receptor in guinea pig cerebellum membranes				Bioorg Med Chem Lett 22: 7711-4 (2012) Article DOI: 10.1016/j.bmcl.2012.09.101 BindingDB Entry DOI: 10.7270/Q22B905B
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