Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2 [826-1132]' and Ligand = 'BDBM458854'   

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 JAK2 [826-1132] (Homo sapiens (Human))	BDBM458854 (US10759793, Example 7) Show SMILES OC[C@@H](O)COc1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |wU:2.2,15.15,wD:12.11,(-9.31,1.86,;-7.8,1.54,;-6.77,2.69,;-7.25,4.15,;-5.26,2.37,;-4.23,3.51,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)| Show InChI InChI=1S/C22H25FN6O3/c23-19-21(26-15-6-4-14(5-7-15)8-9-24)27-20(28-22(19)32-13-16(31)12-30)17-11-25-29-10-2-1-3-18(17)29/h1-3,10-11,14-16,30-31H,4-8,12-13H2,(H,26,27,28)/t14-,15-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020) BindingDB Entry DOI: 10.7270/Q2QC06MG
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