Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM113090'   

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))	BDBM113090 (US8633206, 8) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(CN3CCCC3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-7.29,.38,;-5.96,-.39,;-4.62,.38,;-4.62,1.92,;-3.29,2.69,;-1.96,1.92,;-.62,2.7,;.71,1.93,;-.06,.59,;1.48,.59,;2.04,2.7,;2.04,4.24,;3.38,5.01,;4.71,4.24,;4.71,2.7,;6.05,1.93,;6.05,.39,;4.8,-.52,;5.28,-1.98,;6.82,-1.98,;7.29,-.52,;3.38,1.93,;-1.96,.38,;-3.29,-.38,;-5.96,-1.93,;-7.29,-2.7,;-7.29,-4.24,;-5.96,-5.01,;-4.62,-4.24,;-3.16,-4.71,;-2.25,-3.47,;-3.16,-2.22,;-4.62,-2.7,)| Show InChI InChI=1S/C24H38N6O2S/c1-28(24-22-10-11-25-23(22)26-18-27-24)21-8-6-19(7-9-21)17-33(31,32)30-14-4-5-20(16-30)15-29-12-2-3-13-29/h10-11,18-21H,2-9,12-17H2,1H3,(H,25,26,27)/t19-,20?,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14.8	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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