Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50161319'   

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))	BDBM50161319 ((S){[Methyl-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-car...) Show SMILES COC(=O)N[C@H](C(=O)N(C)[C@H](CN1CCCC1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H29N3O3/c1-25(20(17-26-15-9-10-16-26)18-11-5-3-6-12-18)22(27)21(24-23(28)29-2)19-13-7-4-8-14-19/h3-8,11-14,20-21H,9-10,15-17H2,1-2H3,(H,24,28)/t20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	178	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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