Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50458142'   

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))	BDBM50458142 (CHEMBL4208635) Show SMILES CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(NC=O)cc21 |TLB:14:13:11:3.4.5,6:5:11:15.23.13,THB:22:23:11:3.4.5| Show InChI InChI=1S/C20H26N2O2/c1-3-20-8-9-22(11-14-4-5-14)18(13(20)2)19(24)16-7-6-15(21-12-23)10-17(16)20/h6-7,10,12-14,18H,3-5,8-9,11H2,1-2H3,(H,21,23)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in guinea pig brain membranes				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
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