Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50341301'   

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))	BDBM50341301 (CHEMBL1766039 | N'-Methyl-aminothiazolo[5,4-b]-N-c...) Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |r| Show InChI InChI=1S/C23H31N3S/c1-24-22-25-19-13-18-16(12-21(19)27-22)11-20-17-7-2-3-8-23(17,18)9-10-26(20)14-15-5-4-6-15/h12-13,15,17,20H,2-11,14H2,1H3,(H,24,25)/t17-,20+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 54: 1903-13 (2011) Article DOI: 10.1021/jm101542c BindingDB Entry DOI: 10.7270/Q2028SJ1
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