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 = 'BDBM257390'   

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))	BDBM257390 (US9493441, 1-1) Show SMILES NC(=O)c1cn(nc1Nc1ccccc1)C(CC#N)C1CC1 Show InChI InChI=1S/C16H17N5O/c17-9-8-14(11-6-7-11)21-10-13(15(18)22)16(20-21)19-12-4-2-1-3-5-12/h1-5,10-11,14H,6-8H2,(H2,18,22)(H,19,20)	PDB UniProtKB/SwissProt DrugBank antibodypedia 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	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
					More data for this Ligand-Target Pair