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 = 'BDBM257428'   

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))	BDBM257428 (US9493441, 4-12) Show SMILES COc1cc(Nc2nn(cc2C(N)=O)C(CC#N)C2CC2)ccn1 Show InChI InChI=1S/C16H18N6O2/c1-24-14-8-11(5-7-19-14)20-16-12(15(18)23)9-22(21-16)13(4-6-17)10-2-3-10/h5,7-10,13H,2-4H2,1H3,(H2,18,23)(H,19,20,21)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	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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