Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM113127'   

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))	BDBM113127 (US8633206, 45) Show SMILES COCCC1(CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12)C(N)=O |r,wU:14.14,wD:17.21,(-8.52,-1.15,;-8.52,.38,;-7.19,1.15,;-7.19,2.69,;-5.85,3.47,;-4.52,4.23,;-3.19,3.47,;-3.19,1.93,;-4.52,1.15,;-5.85,1.93,;-1.85,1.15,;-1.85,-.38,;-.52,.38,;-.52,1.93,;.82,1.15,;2.15,1.92,;3.48,1.15,;3.48,-.39,;2.15,-1.15,;.82,-.39,;4.82,-1.16,;6.15,-.39,;4.82,-2.7,;3.48,-3.47,;3.48,-5.01,;4.82,-5.78,;6.15,-5.01,;7.61,-5.48,;8.52,-4.24,;7.61,-2.99,;6.15,-3.47,;-5.85,5,;-4.52,5.78,;-7.19,5.78,)| Show InChI InChI=1S/C23H36N6O4S/c1-28(21-19-7-11-25-20(19)26-16-27-21)18-5-3-17(4-6-18)15-34(31,32)29-12-8-23(9-13-29,22(24)30)10-14-33-2/h7,11,16-18H,3-6,8-10,12-15H2,1-2H3,(H2,24,30)(H,25,26,27)/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.59	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
					More data for this Ligand-Target Pair