Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50161314'   

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))	BDBM50161314 (CHEMBL359543 | N-{[Methyl-((S)-1-phenyl-2-pyrrolid...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)CNC(=O)Cc1ccccc1 Show InChI InChI=1S/C23H29N3O2/c1-25(23(28)17-24-22(27)16-19-10-4-2-5-11-19)21(18-26-14-8-9-15-26)20-12-6-3-7-13-20/h2-7,10-13,21H,8-9,14-18H2,1H3,(H,24,27)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description In vitro binding affinity for human kappa opioid receptor was determined by using [3H]-diprenorphine as radioligand				Bioorg Med Chem Lett 15: 1279-82 (2005) Article DOI: 10.1016/j.bmcl.2005.01.038 BindingDB Entry DOI: 10.7270/Q2QF8SDJ
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