Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50370757'   

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 (Homo sapiens (Human))	BDBM50370757 (CHEMBL1162933) Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(=O)NCc1ccc(cc1)-c1ccccc1 |THB:0:1:3.4.9:14.12.13,5:4:1:14.12.13,8:9:1:14.12.13,15:14:1:3.4.9| Show InChI InChI=1S/C32H36N2O/c1-22-30-19-27-14-15-28(18-29(27)32(22,2)16-17-34(30)21-24-8-9-24)31(35)33-20-23-10-12-26(13-11-23)25-6-4-3-5-7-25/h3-7,10-15,18,22,24,30H,8-9,16-17,19-21H2,1-2H3,(H,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 49: 5635-9 (2006) Article DOI: 10.1021/jm060278n BindingDB Entry DOI: 10.7270/Q208663G
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