Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM113153'   

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))	BDBM113153 (US8633206, 71) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2C[C@H](O)[C@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,12.12,14.14,wD:2.1,(5.43,-.13,;4.1,-.9,;2.76,-.13,;2.76,1.41,;1.43,2.18,;.09,1.41,;-1.24,2.18,;-2.57,1.41,;-2.57,-.13,;-1.24,.64,;-3.91,2.18,;-3.89,3.72,;-5.35,4.19,;-6.12,5.52,;-6.26,2.95,;-7.8,2.95,;-5.35,1.7,;.09,-.13,;1.43,-.9,;4.1,-2.44,;2.76,-3.21,;2.76,-4.75,;4.1,-5.52,;5.43,-4.75,;6.89,-5.23,;7.8,-3.98,;6.89,-2.74,;5.43,-3.21,)| Show InChI InChI=1S/C18H27N5O4S/c1-22(18-14-6-7-19-17(14)20-11-21-18)13-4-2-12(3-5-13)10-28(26,27)23-8-15(24)16(25)9-23/h6-7,11-13,15-16,24-25H,2-5,8-10H2,1H3,(H,19,20,21)/t12-,13-,15-,16+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.52	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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