Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK3' and Ligand = 'BDBM113186'   

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))	BDBM113186 (US8633206, 104) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](Cc3ccccc3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(6.55,.53,;5.21,-.24,;3.88,.53,;3.88,2.07,;2.54,2.84,;1.21,2.07,;-.12,2.84,;-1.46,2.07,;-1.46,.53,;-.12,1.3,;-2.79,2.84,;-2.77,4.38,;-4.24,4.86,;-5.14,3.61,;-6.63,3.21,;-7.03,1.73,;-8.52,1.33,;-8.92,-.16,;-7.83,-1.25,;-6.34,-.85,;-5.94,.64,;-4.24,2.37,;1.21,.53,;2.54,-.24,;5.21,-1.78,;3.88,-2.55,;3.88,-4.09,;5.21,-4.86,;6.55,-4.09,;8.01,-4.56,;8.92,-3.32,;8.01,-2.07,;6.55,-2.55,)| Show InChI InChI=1S/C25H33N5O2S/c1-29(25-23-11-13-26-24(23)27-18-28-25)22-9-7-20(8-10-22)17-33(31,32)30-14-12-21(16-30)15-19-5-3-2-4-6-19/h2-6,11,13,18,20-22H,7-10,12,14-17H2,1H3,(H,26,27,28)/t20-,21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	721	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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