BDBM400268 US10695337, Example 23::US11285140, Example 23::US9999619, Example 24

SMILES Fc1cc(cc(c1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

InChI Key InChIKey=XSVNQCQIBLRIMT-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 = 400268   

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

US Patent
LigandPNGBDBM400268(US10695337, Example 23 | US11285140, Example 23 | ...)
Show SMILES Fc1cc(cc(c1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H24F4N8O/c28-20-10-17(9-19(11-20)27(29,30)31)25(40)37-7-2-21(3-8-37)38-14-26(15-38,4-5-32)39-13-18(12-36-39)23-22-1-6-33-24(22)35-16-34-23/h1,6,9-13,16,21H,2-4,7-8,14-15H2,(H,33,34,35)
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
LigandPNGBDBM400268(US10695337, Example 23 | US11285140, Example 23 | ...)
Show SMILES Fc1cc(cc(c1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H24F4N8O/c28-20-10-17(9-19(11-20)27(29,30)31)25(40)37-7-2-21(3-8-37)38-14-26(15-38,4-5-32)39-13-18(12-36-39)23-22-1-6-33-24(22)35-16-34-23/h1,6,9-13,16,21H,2-4,7-8,14-15H2,(H,33,34,35)
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
LigandPNGBDBM400268(US10695337, Example 23 | US11285140, Example 23 | ...)
Show SMILES Fc1cc(cc(c1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H24F4N8O/c28-20-10-17(9-19(11-20)27(29,30)31)25(40)37-7-2-21(3-8-37)38-14-26(15-38,4-5-32)39-13-18(12-36-39)23-22-1-6-33-24(22)35-16-34-23/h1,6,9-13,16,21H,2-4,7-8,14-15H2,(H,33,34,35)
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
LigandPNGBDBM400268(US10695337, Example 23 | US11285140, Example 23 | ...)
Show SMILES Fc1cc(cc(c1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H24F4N8O/c28-20-10-17(9-19(11-20)27(29,30)31)25(40)37-7-2-21(3-8-37)38-14-26(15-38,4-5-32)39-13-18(12-36-39)23-22-1-6-33-24(22)35-16-34-23/h1,6,9-13,16,21H,2-4,7-8,14-15H2,(H,33,34,35)
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
TargetTyrosine-protein kinase JAK1 [837-1142](Homo sapiens (Human))
Incyte Holdings Corporation

US Patent
LigandPNGBDBM400268(US10695337, Example 23 | US11285140, Example 23 | ...)
Show SMILES Fc1cc(cc(c1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H24F4N8O/c28-20-10-17(9-19(11-20)27(29,30)31)25(40)37-7-2-21(3-8-37)38-14-26(15-38,4-5-32)39-13-18(12-36-39)23-22-1-6-33-24(22)35-16-34-23/h1,6,9-13,16,21H,2-4,7-8,14-15H2,(H,33,34,35)
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
LigandPNGBDBM400268(US10695337, Example 23 | US11285140, Example 23 | ...)
Show SMILES Fc1cc(cc(c1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H24F4N8O/c28-20-10-17(9-19(11-20)27(29,30)31)25(40)37-7-2-21(3-8-37)38-14-26(15-38,4-5-32)39-13-18(12-36-39)23-22-1-6-33-24(22)35-16-34-23/h1,6,9-13,16,21H,2-4,7-8,14-15H2,(H,33,34,35)
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