Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM270878'   

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 JAK1 (Homo sapiens (Human))	BDBM270878 (US10059709, 24) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1c(cnn2cccc12)C#N |r,wU:9.12,wD:6.5,(6.67,2.8,;5.33,2.03,;4,2.8,;4.77,4.13,;3.23,1.46,;2.67,3.57,;1.33,2.8,;,3.57,;-1.33,2.8,;-1.33,1.26,;,.49,;1.33,1.26,;-2.67,.49,;-4,1.26,;-2.67,-1.05,;-4,-1.82,;-4,-3.36,;-2.67,-4.13,;-1.33,-3.36,;.13,-3.84,;1.04,-2.59,;.13,-1.35,;-1.33,-1.82,;-5.33,-1.05,;-6.67,-.28,)| Show InChI InChI=1S/C17H23N5O2S/c1-19-25(23,24)12-13-5-7-15(8-6-13)21(2)17-14(10-18)11-20-22-9-3-4-16(17)22/h3-4,9,11,13,15,19H,5-8,12H2,1-2H3/t13-,15-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	930	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 US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
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