Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutathione S-transferase P/Tyrosine-protein kinase JAK2' and Ligand = 'BDBM257394'   

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 JAK2 (Homo sapiens (Human))	BDBM257394 (US9493441, 1-5) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(=O)N1CCS(=O)(=O)CC1)C(CC#N)C1CCCC1 Show InChI InChI=1S/C23H28N6O4S/c24-10-9-20(16-3-1-2-4-16)29-15-19(21(25)30)22(27-29)26-18-7-5-17(6-8-18)23(31)28-11-13-34(32,33)14-12-28/h5-8,15-16,20H,1-4,9,11-14H2,(H2,25,30)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	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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