BDBM400524 US10695337, Example 280::US11285140, Example 280::US9999619, Example 280

SMILES Fc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)c(F)c1F

InChI Key InChIKey=LGHGBHSECRINRE-UHFFFAOYSA-N

Data  6 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 400524   

TargetTyrosine-protein kinase JAK1 [837-1142](Homo sapiens (Human))
Incyte Holdings Corporation

US Patent
LigandPNGBDBM400524(US10695337, Example 280 | US11285140, Example 280 ...)
Show SMILES Fc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)c(F)c1F
Show InChI InChI=1S/C27H24F3N7O/c28-21-2-1-19(22(29)23(21)30)26(38)35-10-5-18(6-11-35)36-14-27(15-36,7-8-31)37-12-4-17(13-37)24-20-3-9-32-25(20)34-16-33-24/h1-4,9,12-13,16,18H,5-7,10-11,14-15H2,(H,32,33,34)
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
TargetTyrosine-protein kinase JAK2 [828-1132](Homo sapiens (Human))
Incyte Holdings Corporation

US Patent
LigandPNGBDBM400524(US10695337, Example 280 | US11285140, Example 280 ...)
Show SMILES Fc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)c(F)c1F
Show InChI InChI=1S/C27H24F3N7O/c28-21-2-1-19(22(29)23(21)30)26(38)35-10-5-18(6-11-35)36-14-27(15-36,7-8-31)37-12-4-17(13-37)24-20-3-9-32-25(20)34-16-33-24/h1-4,9,12-13,16,18H,5-7,10-11,14-15H2,(H,32,33,34)
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
LigandPNGBDBM400524(US10695337, Example 280 | US11285140, Example 280 ...)
Show SMILES Fc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)c(F)c1F
Show InChI InChI=1S/C27H24F3N7O/c28-21-2-1-19(22(29)23(21)30)26(38)35-10-5-18(6-11-35)36-14-27(15-36,7-8-31)37-12-4-17(13-37)24-20-3-9-32-25(20)34-16-33-24/h1-4,9,12-13,16,18H,5-7,10-11,14-15H2,(H,32,33,34)
Affinity DataIC50: 10nMMore 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
LigandPNGBDBM400524(US10695337, Example 280 | US11285140, Example 280 ...)
Show SMILES Fc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)c(F)c1F
Show InChI InChI=1S/C27H24F3N7O/c28-21-2-1-19(22(29)23(21)30)26(38)35-10-5-18(6-11-35)36-14-27(15-36,7-8-31)37-12-4-17(13-37)24-20-3-9-32-25(20)34-16-33-24/h1-4,9,12-13,16,18H,5-7,10-11,14-15H2,(H,32,33,34)
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
TargetTyrosine-protein kinase JAK1 [837-1142](Homo sapiens (Human))
Incyte Holdings Corporation

US Patent
LigandPNGBDBM400524(US10695337, Example 280 | US11285140, Example 280 ...)
Show SMILES Fc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)c(F)c1F
Show InChI InChI=1S/C27H24F3N7O/c28-21-2-1-19(22(29)23(21)30)26(38)35-10-5-18(6-11-35)36-14-27(15-36,7-8-31)37-12-4-17(13-37)24-20-3-9-32-25(20)34-16-33-24/h1-4,9,12-13,16,18H,5-7,10-11,14-15H2,(H,32,33,34)
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

US Patent
LigandPNGBDBM400524(US10695337, Example 280 | US11285140, Example 280 ...)
Show SMILES Fc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)c(F)c1F
Show InChI InChI=1S/C27H24F3N7O/c28-21-2-1-19(22(29)23(21)30)26(38)35-10-5-18(6-11-35)36-14-27(15-36,7-8-31)37-12-4-17(13-37)24-20-3-9-32-25(20)34-16-33-24/h1-4,9,12-13,16,18H,5-7,10-11,14-15H2,(H,32,33,34)
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