Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK3 [811-1124]' and Ligand = 'BDBM410168'   

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 [811-1124] (Homo sapiens (Human))	BDBM410168 (US10370375, Example 16) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ccnc(N)n1 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;-1.04,-.52,)| Show InChI InChI=1S/C13H23N5O2S/c1-15-21(19,20)9-10-3-5-11(6-4-10)18(2)12-7-8-16-13(14)17-12/h7-8,10-11,15H,3-6,9H2,1-2H3,(H2,14,16,17)/t10-,11?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
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