Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50341308'   

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))	BDBM50341308 (CHEMBL1766021 | N-methyl-3-aminothiazolo-morphinan...) Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(N)nc2cc31 |r,TLB:0:1:12.21.11:9| Show InChI InChI=1S/C18H23N3S/c1-21-7-6-18-5-3-2-4-12(18)15(21)8-11-9-16-14(10-13(11)18)20-17(19)22-16/h9-10,12,15H,2-8H2,1H3,(H2,19,20)/t12-,15+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.40	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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