Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50204787'   

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))	BDBM50204787 (1-phenyl-8-(1-phenyl-propyl)-1,3,8-triaza-spiro[4....) Show SMILES CCC(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H27N3O/c1-2-20(18-9-5-3-6-10-18)24-15-13-22(14-16-24)21(26)23-17-25(22)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 2281-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.069 BindingDB Entry DOI: 10.7270/Q2T43SRZ
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