Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50381029'   

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))	BDBM50381029 (CHEMBL2017144) Show SMILES CN([C@@H]1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1)C(=O)\C=C\c1ccoc1 |r| Show InChI InChI=1S/C28H34N2O3/c1-29(26(32)7-4-21-9-13-33-18-21)23-8-10-27-15-22-5-6-24(31)14-25(22)28(27,16-23)11-12-30(19-27)17-20-2-3-20/h4-7,9,13-14,18,20,23,31H,2-3,8,10-12,15-17,19H2,1H3/b7-4+/t23-,27?,28?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.43	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 22: 2775-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.082 BindingDB Entry DOI: 10.7270/Q23X87PR
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