Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50133895'   

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))	BDBM50133895 (CHEMBL3634253) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3ccc4ccccc4c3)cc12 |r| Show InChI InChI=1S/C32H34N2O2/c1-20-14-27(35)15-21(2)28(20)19-30(33)32(36)34-31-9-5-8-25-13-11-23(18-29(25)31)16-22-10-12-24-6-3-4-7-26(24)17-22/h3-4,6-7,10-15,17-18,30-31,35H,5,8-9,16,19,33H2,1-2H3,(H,34,36)/t30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa-opioid receptor expressed in CHO cell membrane for 1 hr by liquid scintillation counting analysis				J Med Chem 58: 8952-69 (2015) Article DOI: 10.1021/acs.jmedchem.5b01270 BindingDB Entry DOI: 10.7270/Q2RR213J
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