Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM113173'   

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))	BDBM113173 (US8633206, 91) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@](O)(C2)c2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(6.49,-.68,;5.16,-1.45,;3.82,-.68,;3.82,.86,;2.49,1.63,;1.16,.86,;-.18,1.63,;-1.51,.86,;-1.51,-.68,;-.18,.09,;-2.84,1.63,;-2.83,3.17,;-4.29,3.65,;-5.2,2.4,;-5.97,1.07,;-4.29,1.16,;-6.29,3.49,;-5.89,4.98,;-6.98,6.07,;-8.46,5.67,;-8.86,4.18,;-7.77,3.09,;1.16,-.68,;2.49,-1.45,;5.16,-2.99,;3.82,-3.76,;3.82,-5.3,;5.16,-6.07,;6.49,-5.3,;7.96,-5.77,;8.86,-4.53,;7.96,-3.28,;6.49,-3.76,)| Show InChI InChI=1S/C24H31N5O3S/c1-28(23-21-11-13-25-22(21)26-17-27-23)20-9-7-18(8-10-20)15-33(31,32)29-14-12-24(30,16-29)19-5-3-2-4-6-19/h2-6,11,13,17-18,20,30H,7-10,12,14-16H2,1H3,(H,25,26,27)/t18-,20-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.92	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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