Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1 [837-1142]' and Ligand = 'BDBM400286'
TargetTyrosine-protein kinase JAK1 [837-1142](Homo sapiens (Human))
Incyte Holdings Corporation; Incyte Corporation

US Patent
LigandPNGBDBM400286(US10695337, Example 40 | US11285140, Example 40 | ...)
Show SMILES COc1cc(F)ccc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H27FN8O2/c1-38-23-12-19(28)2-3-21(23)26(37)34-10-5-20(6-11-34)35-15-27(16-35,7-8-29)36-14-18(13-33-36)24-22-4-9-30-25(22)32-17-31-24/h2-4,9,12-14,17,20H,5-7,10-11,15-16H2,1H3,(H,30,31,32)
Affinity DataIC50: 5nMAssay 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
TargetTyrosine-protein kinase JAK1 [837-1142](Homo sapiens (Human))
Incyte Holdings Corporation; Incyte Corporation

US Patent
LigandPNGBDBM400286(US10695337, Example 40 | US11285140, Example 40 | ...)
Show SMILES COc1cc(F)ccc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H27FN8O2/c1-38-23-12-19(28)2-3-21(23)26(37)34-10-5-20(6-11-34)35-15-27(16-35,7-8-29)36-14-18(13-33-36)24-22-4-9-30-25(22)32-17-31-24/h2-4,9,12-14,17,20H,5-7,10-11,15-16H2,1H3,(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 JAK1 [837-1142](Homo sapiens (Human))
Incyte Holdings Corporation; Incyte Corporation

US Patent
LigandPNGBDBM400286(US10695337, Example 40 | US11285140, Example 40 | ...)
Show SMILES COc1cc(F)ccc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H27FN8O2/c1-38-23-12-19(28)2-3-21(23)26(37)34-10-5-20(6-11-34)35-15-27(16-35,7-8-29)36-14-18(13-33-36)24-22-4-9-30-25(22)32-17-31-24/h2-4,9,12-14,17,20H,5-7,10-11,15-16H2,1H3,(H,30,31,32)
Affinity DataIC50: 10nMAssay 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