Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM113158'   

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))	BDBM113158 (US8633206, 76) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)S(C)(=O)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(6.15,.53,;4.81,-.24,;3.48,.53,;3.48,2.07,;2.15,2.84,;.81,2.07,;-.52,2.84,;-1.86,2.07,;-1.86,.53,;-.52,1.3,;-3.19,2.84,;-3.17,4.38,;-4.64,4.86,;-5.54,3.61,;-4.64,2.37,;-7.03,3.21,;-7.43,1.73,;-8.12,4.3,;-8.52,2.81,;.81,.53,;2.15,-.24,;4.81,-1.78,;3.48,-2.55,;3.48,-4.09,;4.81,-4.86,;6.15,-4.09,;7.61,-4.56,;8.52,-3.32,;7.61,-2.07,;6.15,-2.55,)| Show InChI InChI=1S/C19H29N5O4S2/c1-23(19-17-7-9-20-18(17)21-13-22-19)15-5-3-14(4-6-15)12-30(27,28)24-10-8-16(11-24)29(2,25)26/h7,9,13-16H,3-6,8,10-12H2,1-2H3,(H,20,21,22)/t14-,15-,16-/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	2.98	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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