Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK3' and Ligand = 'BDBM113205'   

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))	BDBM113205 (US8633206, 123) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(Cc3ccccn3)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.15,-1.93,;4.82,-2.69,;3.48,-1.93,;3.48,-.38,;2.15,.38,;.82,-.38,;-.52,.38,;-1.85,-.38,;-1.85,-1.93,;-.52,-1.15,;-3.19,.38,;-3.19,1.93,;-4.52,2.7,;-5.85,1.93,;-7.19,2.69,;-7.19,4.23,;-8.52,5,;-8.52,6.54,;-7.19,7.31,;-5.85,6.54,;-5.85,5,;-5.85,.38,;-4.52,-.38,;.82,-1.93,;2.15,-2.69,;4.82,-4.23,;3.48,-5,;3.48,-6.54,;4.82,-7.31,;6.15,-6.54,;7.61,-7.02,;8.52,-5.78,;7.61,-4.53,;6.15,-5,)| Show InChI InChI=1S/C24H33N7O2S/c1-29(24-22-9-11-26-23(22)27-18-28-24)21-7-5-19(6-8-21)17-34(32,33)31-14-12-30(13-15-31)16-20-4-2-3-10-25-20/h2-4,9-11,18-19,21H,5-8,12-17H2,1H3,(H,26,27,28)/t19-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	323	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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