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 = 'BDBM257423'   

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))	BDBM257423 (US9493441, 4-7) Show SMILES NC(=O)c1cn(nc1Nc1cccc(CCC#N)c1)C(CC#N)C1CC1 Show InChI InChI=1S/C19H20N6O/c20-9-2-4-13-3-1-5-15(11-13)23-19-16(18(22)26)12-25(24-19)17(8-10-21)14-6-7-14/h1,3,5,11-12,14,17H,2,4,6-8H2,(H2,22,26)(H,23,24)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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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