BDBM400522 US10695337, Example 278::US11285140, Example 278::US9999619, Example 278

SMILES Fc1ccc(F)c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

InChI Key InChIKey=NCQSNFMFSSSDMB-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 = 400522   

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

US Patent
LigandPNGBDBM400522(US10695337, Example 278 | US11285140, Example 278 ...)
Show SMILES Fc1ccc(F)c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H25F2N7O/c28-19-1-2-23(29)22(13-19)26(37)34-10-5-20(6-11-34)35-15-27(16-35,7-8-30)36-12-4-18(14-36)24-21-3-9-31-25(21)33-17-32-24/h1-4,9,12-14,17,20H,5-7,10-11,15-16H2,(H,31,32,33)
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
LigandPNGBDBM400522(US10695337, Example 278 | US11285140, Example 278 ...)
Show SMILES Fc1ccc(F)c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H25F2N7O/c28-19-1-2-23(29)22(13-19)26(37)34-10-5-20(6-11-34)35-15-27(16-35,7-8-30)36-12-4-18(14-36)24-21-3-9-31-25(21)33-17-32-24/h1-4,9,12-14,17,20H,5-7,10-11,15-16H2,(H,31,32,33)
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
LigandPNGBDBM400522(US10695337, Example 278 | US11285140, Example 278 ...)
Show SMILES Fc1ccc(F)c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H25F2N7O/c28-19-1-2-23(29)22(13-19)26(37)34-10-5-20(6-11-34)35-15-27(16-35,7-8-30)36-12-4-18(14-36)24-21-3-9-31-25(21)33-17-32-24/h1-4,9,12-14,17,20H,5-7,10-11,15-16H2,(H,31,32,33)
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
LigandPNGBDBM400522(US10695337, Example 278 | US11285140, Example 278 ...)
Show SMILES Fc1ccc(F)c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H25F2N7O/c28-19-1-2-23(29)22(13-19)26(37)34-10-5-20(6-11-34)35-15-27(16-35,7-8-30)36-12-4-18(14-36)24-21-3-9-31-25(21)33-17-32-24/h1-4,9,12-14,17,20H,5-7,10-11,15-16H2,(H,31,32,33)
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
LigandPNGBDBM400522(US10695337, Example 278 | US11285140, Example 278 ...)
Show SMILES Fc1ccc(F)c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H25F2N7O/c28-19-1-2-23(29)22(13-19)26(37)34-10-5-20(6-11-34)35-15-27(16-35,7-8-30)36-12-4-18(14-36)24-21-3-9-31-25(21)33-17-32-24/h1-4,9,12-14,17,20H,5-7,10-11,15-16H2,(H,31,32,33)
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
LigandPNGBDBM400522(US10695337, Example 278 | US11285140, Example 278 ...)
Show SMILES Fc1ccc(F)c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H25F2N7O/c28-19-1-2-23(29)22(13-19)26(37)34-10-5-20(6-11-34)35-15-27(16-35,7-8-30)36-12-4-18(14-36)24-21-3-9-31-25(21)33-17-32-24/h1-4,9,12-14,17,20H,5-7,10-11,15-16H2,(H,31,32,33)
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