Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM270876'   

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))	BDBM270876 (US10059709, 22) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.75,2.78,;4.41,2.01,;3.08,2.78,;3.85,4.12,;2.31,1.45,;1.75,3.55,;.41,2.78,;-.92,3.55,;-2.26,2.78,;-2.26,1.24,;-.92,.47,;.41,1.24,;-3.59,.47,;-5.12,.63,;-5.75,-.77,;-4.6,-1.81,;-4.6,-3.35,;-3.27,-4.12,;-1.93,-3.35,;-.47,-3.82,;.43,-2.58,;-.47,-1.33,;-1.93,-1.81,;-3.27,-1.04,)| Show InChI InChI=1S/C16H21N5O2S/c1-17-24(22,23)9-11-2-4-12(5-3-11)21-10-20-14-8-19-16-13(15(14)21)6-7-18-16/h6-8,10-12,17H,2-5,9H2,1H3,(H,18,19)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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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