Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50118187'   

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 (Mus musculus (Mouse))	BDBM50118187 (CHEMBL3613281) Show SMILES Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@@H]1N(C)C(=O)Cc1ccccc1)c1cc(O)ccc1C[C@@]34C2 |r| Show InChI InChI=1S/C31H38N2O2.ClH/c1-32(29(35)15-21-5-3-2-4-6-21)27-19-30-13-14-33(20-22-7-8-22)28-12-10-24(27)18-31(28,30)17-23-9-11-25(34)16-26(23)30;/h2-6,9,11,16,22,24,27-28,34H,7-8,10,12-15,17-20H2,1H3;1H/t24-,27+,28+,30-,31-;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum				Bioorg Med Chem 23: 6271-9 (2015) Article DOI: 10.1016/j.bmc.2015.08.036 BindingDB Entry DOI: 10.7270/Q2V126M1
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