BDBM50402409 CHEMBL2208034

SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1

InChI Key InChIKey=ISOCDPQFIXDIMS-HSZRJFAPSA-N

Data  16 IC50

PDB links: 1 PDB ID matches this monomer.

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 16 hits for monomerid = 50402409   

TargetVascular endothelial growth factor receptor 1(Homo sapiens (Human))
Exelixis Inc

Curated by ChEMBL
LigandPNGBDBM50402409(CHEMBL2208034)
Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1
Show InChI InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1
Affinity DataIC50: 911nMAssay Description:Inhibition of FLT1More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Exelixis Inc

Curated by ChEMBL
LigandPNGBDBM50402409(CHEMBL2208034)
Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1
Show InChI InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1
Affinity DataIC50: 2.20nMAssay Description:Inhibition of JAK2More data for this Ligand-Target Pair
TargetPlatelet-derived growth factor receptor beta(Homo sapiens (Human))
Exelixis Inc

Curated by ChEMBL
LigandPNGBDBM50402409(CHEMBL2208034)
Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1
Show InChI InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1
Affinity DataIC50: 125nMAssay Description:Inhibition of PDGFRBMore data for this Ligand-Target Pair
TargetMast/stem cell growth factor receptor Kit(Homo sapiens (Human))
Exelixis Inc

Curated by ChEMBL
LigandPNGBDBM50402409(CHEMBL2208034)
Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1
Show InChI InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1
Affinity DataIC50: 226nMAssay Description:Inhibition of c-KITMore data for this Ligand-Target Pair
TargetRibosomal protein S6 kinase beta-1(Homo sapiens (Human))
Exelixis Inc

Curated by ChEMBL
LigandPNGBDBM50402409(CHEMBL2208034)
Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1
Show InChI InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1
Affinity DataIC50: 314nMAssay Description:Inhibition of P70S6KMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 3(Homo sapiens (Human))
Exelixis Inc

Curated by ChEMBL
LigandPNGBDBM50402409(CHEMBL2208034)
Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1
Show InChI InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1
Affinity DataIC50: 555nMAssay Description:Inhibition of FLT4More data for this Ligand-Target Pair
TargetPlatelet-derived growth factor receptor alpha(Homo sapiens (Human))
Exelixis Inc

Curated by ChEMBL
LigandPNGBDBM50402409(CHEMBL2208034)
Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1
Show InChI InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1
Affinity DataIC50: 547nMAssay Description:Inhibition of PDGFRAMore data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Exelixis Inc

Curated by ChEMBL
LigandPNGBDBM50402409(CHEMBL2208034)
Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1
Show InChI InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1
Affinity DataIC50: 348nMAssay Description:Inhibition of TYK2More data for this Ligand-Target Pair
TargetInhibitor of nuclear factor kappa-B kinase subunit beta(Homo sapiens (Human))
Exelixis Inc

Curated by ChEMBL
LigandPNGBDBM50402409(CHEMBL2208034)
Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1
Show InChI InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1
Affinity DataIC50: 375nMAssay Description:Inhibition of IKKbetaMore data for this Ligand-Target Pair
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Exelixis Inc

Curated by ChEMBL
LigandPNGBDBM50402409(CHEMBL2208034)
Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1
Show InChI InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1
Affinity DataIC50: 140nMAssay Description:Inhibition of FLT3More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 9(Homo sapiens (Human))
Exelixis Inc

Curated by ChEMBL
LigandPNGBDBM50402409(CHEMBL2208034)
Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1
Show InChI InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1
Affinity DataIC50: 370nMAssay Description:Inhibition of MLK1More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Exelixis Inc

Curated by ChEMBL
LigandPNGBDBM50402409(CHEMBL2208034)
Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1
Show InChI InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1
Affinity DataIC50: 134nMAssay Description:Inhibition of JAK1More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Exelixis Inc

Curated by ChEMBL
LigandPNGBDBM50402409(CHEMBL2208034)
Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1
Show InChI InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1
Affinity DataIC50: 695nMAssay Description:Inhibition of JAK2 in HEL 92.1.7 cells assessed as inhibition of STAT3 phosphorylationMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Exelixis Inc

Curated by ChEMBL
LigandPNGBDBM50402409(CHEMBL2208034)
Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1
Show InChI InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1
Affinity DataIC50: 386nMAssay Description:Inhibition of JAK2 in HEL 92.1.7 cells assessed as inhibition of STAT1 phosphorylationMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Exelixis Inc

Curated by ChEMBL
LigandPNGBDBM50402409(CHEMBL2208034)
Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1
Show InChI InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1
Affinity DataIC50: 214nMAssay Description:Inhibition of JAK3More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Exelixis Inc

Curated by ChEMBL
LigandPNGBDBM50402409(CHEMBL2208034)
Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1
Show InChI InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1
Affinity DataIC50: 484nMAssay Description:Inhibition of KDRMore data for this Ligand-Target Pair