Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50161324'   

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))	BDBM50161324 ((RorS){[Methyl-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H33N3O3/c1-31(26(21-32-19-11-12-20-32)24-15-7-3-8-16-24)28(33)27(25-17-9-4-10-18-25)30-29(34)35-22-23-13-5-2-6-14-23/h2-10,13-18,26-27H,11-12,19-22H2,1H3,(H,30,34)/t26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	856	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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