Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM113144'   

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))	BDBM113144 (US8633206, 62) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](CO)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.14,wD:2.1,(5.48,.38,;4.15,-.38,;2.82,.38,;2.82,1.93,;1.48,2.69,;.15,1.93,;-1.18,2.69,;-2.52,1.93,;-2.52,.38,;-1.18,1.15,;-3.85,2.69,;-3.85,4.23,;-5.19,5,;-6.52,4.23,;-6.52,2.69,;-7.85,1.93,;-7.85,.39,;-5.19,1.93,;.15,.38,;1.48,-.38,;4.15,-1.93,;2.82,-2.69,;2.82,-4.23,;4.15,-5,;5.48,-4.23,;6.95,-4.71,;7.85,-3.47,;6.95,-2.22,;5.48,-2.69,)| Show InChI InChI=1S/C20H31N5O3S/c1-24(20-18-8-9-21-19(18)22-14-23-20)17-6-4-15(5-7-17)13-29(27,28)25-10-2-3-16(11-25)12-26/h8-9,14-17,26H,2-7,10-13H2,1H3,(H,21,22,23)/t15-,16-,17-/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	2.40	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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