Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutathione S-transferase P/Tyrosine-protein kinase JAK1' and Ligand = 'BDBM257448'   

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
Glutathione S-transferase P/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM257448 (US9493441, 4-32) Show SMILES CS(=O)c1ccc(Nc2nn(cc2C(N)=O)C(CC#N)C2CC2)cc1 Show InChI InChI=1S/C17H19N5O2S/c1-25(24)13-6-4-12(5-7-13)20-17-14(16(19)23)10-22(21-17)15(8-9-18)11-2-3-11/h4-7,10-11,15H,2-3,8H2,1H3,(H2,19,23)(H,20,21)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9493441 (2016) BindingDB Entry DOI: 10.7270/Q22J69S2
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