Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50175733'   

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))	BDBM50175733 (4-(1-benzyl-1H-imidazol-2-yl)-N-(2-fluorophenyl)-4...) Show SMILES Fc1ccccc1NC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H27FN4O/c29-24-13-7-8-14-25(24)31-27(34)32-18-15-28(16-19-32,23-11-5-2-6-12-23)26-30-17-20-33(26)21-22-9-3-1-4-10-22/h1-14,17,20H,15-16,18-19,21H2,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	318	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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