BDBM400599 US10695337, Example 355::US11285140, Example 355::US9999619, Example 355::{3-[4-(5-Fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-1-yl]-1-[1-(methylsulfonyl)piperidin-4-yl]azetidin-3-yl}acetonitrile

SMILES CS(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12

InChI Key InChIKey=XCIJORQNJVXXGZ-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 = 400599   

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

US Patent
LigandPNGBDBM400599(US10695337, Example 355 | US11285140, Example 355 ...)
Show SMILES CS(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12
Show InChI InChI=1S/C21H24FN7O2S/c1-32(30,31)28-8-3-16(4-9-28)27-13-21(14-27,5-6-23)29-12-15(10-26-29)19-17-2-7-24-20(17)25-11-18(19)22/h2,7,10-12,16H,3-5,8-9,13-14H2,1H3,(H,24,25)
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
LigandPNGBDBM400599(US10695337, Example 355 | US11285140, Example 355 ...)
Show SMILES CS(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12
Show InChI InChI=1S/C21H24FN7O2S/c1-32(30,31)28-8-3-16(4-9-28)27-13-21(14-27,5-6-23)29-12-15(10-26-29)19-17-2-7-24-20(17)25-11-18(19)22/h2,7,10-12,16H,3-5,8-9,13-14H2,1H3,(H,24,25)
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
LigandPNGBDBM400599(US10695337, Example 355 | US11285140, Example 355 ...)
Show SMILES CS(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12
Show InChI InChI=1S/C21H24FN7O2S/c1-32(30,31)28-8-3-16(4-9-28)27-13-21(14-27,5-6-23)29-12-15(10-26-29)19-17-2-7-24-20(17)25-11-18(19)22/h2,7,10-12,16H,3-5,8-9,13-14H2,1H3,(H,24,25)
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
LigandPNGBDBM400599(US10695337, Example 355 | US11285140, Example 355 ...)
Show SMILES CS(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12
Show InChI InChI=1S/C21H24FN7O2S/c1-32(30,31)28-8-3-16(4-9-28)27-13-21(14-27,5-6-23)29-12-15(10-26-29)19-17-2-7-24-20(17)25-11-18(19)22/h2,7,10-12,16H,3-5,8-9,13-14H2,1H3,(H,24,25)
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
LigandPNGBDBM400599(US10695337, Example 355 | US11285140, Example 355 ...)
Show SMILES CS(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12
Show InChI InChI=1S/C21H24FN7O2S/c1-32(30,31)28-8-3-16(4-9-28)27-13-21(14-27,5-6-23)29-12-15(10-26-29)19-17-2-7-24-20(17)25-11-18(19)22/h2,7,10-12,16H,3-5,8-9,13-14H2,1H3,(H,24,25)
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
LigandPNGBDBM400599(US10695337, Example 355 | US11285140, Example 355 ...)
Show SMILES CS(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12
Show InChI InChI=1S/C21H24FN7O2S/c1-32(30,31)28-8-3-16(4-9-28)27-13-21(14-27,5-6-23)29-12-15(10-26-29)19-17-2-7-24-20(17)25-11-18(19)22/h2,7,10-12,16H,3-5,8-9,13-14H2,1H3,(H,24,25)
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