BDBM400532 US10695337, Example 288::US11285140, Example 288::US9999619, Example 288

SMILES COc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12

InChI Key InChIKey=XAUKXBZYCCZSIQ-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 = 400532   

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

US Patent
LigandPNGBDBM400532(US10695337, Example 288 | US11285140, Example 288 ...)
Show SMILES COc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C28H30N8O2/c1-38-24-5-3-2-4-23(24)33-27(37)34-13-8-21(9-14-34)35-17-28(18-35,10-11-29)36-15-7-20(16-36)25-22-6-12-30-26(22)32-19-31-25/h2-7,12,15-16,19,21H,8-10,13-14,17-18H2,1H3,(H,33,37)(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
TargetTyrosine-protein kinase JAK2 [828-1132](Homo sapiens (Human))
Incyte Holdings Corporation

US Patent
LigandPNGBDBM400532(US10695337, Example 288 | US11285140, Example 288 ...)
Show SMILES COc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C28H30N8O2/c1-38-24-5-3-2-4-23(24)33-27(37)34-13-8-21(9-14-34)35-17-28(18-35,10-11-29)36-15-7-20(16-36)25-22-6-12-30-26(22)32-19-31-25/h2-7,12,15-16,19,21H,8-10,13-14,17-18H2,1H3,(H,33,37)(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
LigandPNGBDBM400532(US10695337, Example 288 | US11285140, Example 288 ...)
Show SMILES COc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C28H30N8O2/c1-38-24-5-3-2-4-23(24)33-27(37)34-13-8-21(9-14-34)35-17-28(18-35,10-11-29)36-15-7-20(16-36)25-22-6-12-30-26(22)32-19-31-25/h2-7,12,15-16,19,21H,8-10,13-14,17-18H2,1H3,(H,33,37)(H,30,31,32)
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
LigandPNGBDBM400532(US10695337, Example 288 | US11285140, Example 288 ...)
Show SMILES COc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C28H30N8O2/c1-38-24-5-3-2-4-23(24)33-27(37)34-13-8-21(9-14-34)35-17-28(18-35,10-11-29)36-15-7-20(16-36)25-22-6-12-30-26(22)32-19-31-25/h2-7,12,15-16,19,21H,8-10,13-14,17-18H2,1H3,(H,33,37)(H,30,31,32)
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
LigandPNGBDBM400532(US10695337, Example 288 | US11285140, Example 288 ...)
Show SMILES COc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C28H30N8O2/c1-38-24-5-3-2-4-23(24)33-27(37)34-13-8-21(9-14-34)35-17-28(18-35,10-11-29)36-15-7-20(16-36)25-22-6-12-30-26(22)32-19-31-25/h2-7,12,15-16,19,21H,8-10,13-14,17-18H2,1H3,(H,33,37)(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

US Patent
LigandPNGBDBM400532(US10695337, Example 288 | US11285140, Example 288 ...)
Show SMILES COc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C28H30N8O2/c1-38-24-5-3-2-4-23(24)33-27(37)34-13-8-21(9-14-34)35-17-28(18-35,10-11-29)36-15-7-20(16-36)25-22-6-12-30-26(22)32-19-31-25/h2-7,12,15-16,19,21H,8-10,13-14,17-18H2,1H3,(H,33,37)(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