Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2 [828-1132]' and Ligand = 'BDBM400517'
TargetTyrosine-protein kinase JAK2 [828-1132](Homo sapiens (Human))
Incyte Holdings Corporation

US Patent
LigandPNGBDBM400517(US10695337, Example 273 | US9999619, Example 273)
Show SMILES Fc1ccc(cc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12)C(F)(F)F
Show InChI InChI=1S/C28H25F4N7O/c29-23-2-1-19(28(30,31)32)13-22(23)26(40)37-10-5-20(6-11-37)38-15-27(16-38,7-8-33)39-12-4-18(14-39)24-21-3-9-34-25(21)36-17-35-24/h1-4,9,12-14,17,20H,5-7,10-11,15-16H2,(H,34,35,36)
Affinity DataIC50: 5nMAssay Description:Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2 [828-1132](Homo sapiens (Human))
Incyte Holdings Corporation; Incyte Corporation

US Patent
LigandPNGBDBM400517(US10695337, Example 273 | US9999619, Example 273)
Show SMILES Fc1ccc(cc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12)C(F)(F)F
Show InChI InChI=1S/C28H25F4N7O/c29-23-2-1-19(28(30,31)32)13-22(23)26(40)37-10-5-20(6-11-37)38-15-27(16-38,7-8-33)39-12-4-18(14-39)24-21-3-9-34-25(21)36-17-35-24/h1-4,9,12-14,17,20H,5-7,10-11,15-16H2,(H,34,35,36)
Affinity DataIC50: 10nMAssay Description:The catalytic domains of human JAK1 (a.a. 837-1142), Jak2 (a.a. 828-1132) and Jak3 (a.a. 781-1124) with an N-terminal His tag were expressed using ba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid