Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50161325'   

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))	BDBM50161325 ((S)N-{[Methyl-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-c...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H31N3O2/c1-30(25(21-31-19-11-12-20-31)22-13-5-2-6-14-22)28(33)26(23-15-7-3-8-16-23)29-27(32)24-17-9-4-10-18-24/h2-10,13-18,25-26H,11-12,19-21H2,1H3,(H,29,32)/t25-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99	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
					More data for this Ligand-Target Pair