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 = 'BDBM257494'   

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))	BDBM257494 (US9493441, 18-1) Show SMILES Cc1noc(n1)-c1ccc(Nc2nn(cc2C(N)=O)[C@H](CC#N)C2CC2)cc1 |r| Show InChI InChI=1S/C19H19N7O2/c1-11-22-19(28-25-11)13-4-6-14(7-5-13)23-18-15(17(21)27)10-26(24-18)16(8-9-20)12-2-3-12/h4-7,10,12,16H,2-3,8H2,1H3,(H2,21,27)(H,23,24)/t16-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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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