Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK3' and Ligand = 'BDBM113192'   

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))	BDBM113192 (US8633206, 110) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(C2)c2ncccn2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.38,-.68,;5.05,-1.45,;3.71,-.68,;3.71,.86,;2.38,1.63,;1.05,.86,;-.29,1.63,;-1.62,.86,;-1.62,-.68,;-.29,.09,;-2.95,1.63,;-3.35,3.12,;-4.84,2.72,;-4.44,1.23,;-6.17,3.49,;-5.78,4.98,;-6.86,6.07,;-8.35,5.67,;-8.75,4.18,;-7.66,3.09,;1.05,-.68,;2.38,-1.45,;5.05,-2.99,;3.71,-3.76,;3.71,-5.3,;5.05,-6.07,;6.38,-5.3,;7.85,-5.77,;8.75,-4.53,;7.85,-3.28,;6.38,-3.76,)| Show InChI InChI=1S/C21H27N7O2S/c1-27(21-18-7-10-24-20(18)25-14-26-21)17-5-3-15(4-6-17)13-31(29,30)28-11-16(12-28)19-22-8-2-9-23-19/h2,7-10,14-17H,3-6,11-13H2,1H3,(H,24,25,26)/t15-,17-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	294	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
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