Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2 [828-1132]' and Ligand = 'BDBM400280'
TargetTyrosine-protein kinase JAK2 [828-1132](Homo sapiens (Human))
Incyte Holdings Corporation

US Patent
LigandPNGBDBM400280(US10695337, Example 35 | US11285140, Example 35 | ...)
Show SMILES Fc1ccc(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C26H24F2N8O/c27-21-2-1-17(11-22(21)28)25(37)34-9-4-19(5-10-34)35-14-26(15-35,6-7-29)36-13-18(12-33-36)23-20-3-8-30-24(20)32-16-31-23/h1-3,8,11-13,16,19H,4-6,9-10,14-15H2,(H,30,31,32)
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

US Patent
LigandPNGBDBM400280(US10695337, Example 35 | US11285140, Example 35 | ...)
Show SMILES Fc1ccc(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C26H24F2N8O/c27-21-2-1-17(11-22(21)28)25(37)34-9-4-19(5-10-34)35-14-26(15-35,6-7-29)36-13-18(12-33-36)23-20-3-8-30-24(20)32-16-31-23/h1-3,8,11-13,16,19H,4-6,9-10,14-15H2,(H,30,31,32)
Affinity DataIC50: 30nMMore 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
LigandPNGBDBM400280(US10695337, Example 35 | US11285140, Example 35 | ...)
Show SMILES Fc1ccc(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C26H24F2N8O/c27-21-2-1-17(11-22(21)28)25(37)34-9-4-19(5-10-34)35-14-26(15-35,6-7-29)36-13-18(12-33-36)23-20-3-8-30-24(20)32-16-31-23/h1-3,8,11-13,16,19H,4-6,9-10,14-15H2,(H,30,31,32)
Affinity DataIC50: 30nMAssay 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