Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM113195'   

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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113195 (US8633206, 113) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(C2)c2nnn[nH]2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.28,-.4,;4.94,-1.17,;3.61,-.4,;3.61,1.14,;2.28,1.91,;.94,1.14,;-.39,1.91,;-1.72,1.14,;-1.72,-.4,;-.39,.37,;-3.06,1.91,;-3.46,3.4,;-4.94,3,;-4.55,1.51,;-6.28,3.77,;-7.74,3.3,;-8.65,4.54,;-7.74,5.79,;-6.28,5.31,;.94,-.4,;2.28,-1.17,;4.94,-2.71,;3.61,-3.48,;3.61,-5.02,;4.94,-5.79,;6.28,-5.02,;7.74,-5.49,;8.65,-4.25,;7.74,-3,;6.28,-3.48,)| Show InChI InChI=1S/C18H25N9O2S/c1-26(18-15-6-7-19-17(15)20-11-21-18)14-4-2-12(3-5-14)10-30(28,29)27-8-13(9-27)16-22-24-25-23-16/h6-7,11-14H,2-5,8-10H2,1H3,(H,19,20,21)(H,22,23,24,25)/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.55	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
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