Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50244177'   

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))	BDBM50244177 (1'-[(3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-3H-...) Show SMILES Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1ccccc1 Show InChI InChI=1S/C23H25N3O/c1-18-20(16-26(24-18)21-8-3-2-4-9-21)15-25-13-11-23(12-14-25)22-10-6-5-7-19(22)17-27-23/h2-10,16H,11-15,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human cloned kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 3778-82 (2008) Article DOI: 10.1016/j.bmcl.2008.05.036 BindingDB Entry DOI: 10.7270/Q2XD11G6
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