Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK3' and Ligand = 'BDBM112540'   

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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112540 (US8618103, I-36) Show SMILES Cc1ccc(c(NC2CCCN(C2)S(=O)(=O)CC(C)(C)C)n1)-c1cnc2[nH]ccc2n1 Show InChI InChI=1S/C22H30N6O2S/c1-15-7-8-17(19-12-24-21-18(27-19)9-10-23-21)20(25-15)26-16-6-5-11-28(13-16)31(29,30)14-22(2,3)4/h7-10,12,16H,5-6,11,13-14H2,1-4H3,(H,23,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00838	n/a	0.0168	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
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