Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50175727'   

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))	BDBM50175727 (CHEMBL200067 | N,4-diphenyl-4-(1-(1-phenylethyl)-1...) Show SMILES CC(c1ccccc1)n1ccnc1C1(CCN(CC1)C(=O)Nc1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H30N4O/c1-23(24-11-5-2-6-12-24)33-22-19-30-27(33)29(25-13-7-3-8-14-25)17-20-32(21-18-29)28(34)31-26-15-9-4-10-16-26/h2-16,19,22-23H,17-18,20-21H2,1H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>465	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from cloned human kappa opioid receptor				Bioorg Med Chem Lett 16: 146-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.025 BindingDB Entry DOI: 10.7270/Q2ZK5G70
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