BDBM50327046 1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea::1-{2-Fluoro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-oxy]phenyl}-3-[3-(trifluoromethyl)phenyl]urea::CHEMBL1254007::D3RKN_16

SMILES Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)F)NC(=O)Nc4cccc(c4)C(F)(F)F

InChI Key InChIKey=TWOLOZGQZKJZKJ-UHFFFAOYSA-N

Data  4 KI  24 IC50  3 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50327046   

TargetGlycogen synthase kinase-3 beta(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of GSK3-betaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataKd:  1.00E+4nMAssay Description:D3R2023More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2023
Entry Details
D3R

TargetTyrosine-protein kinase JAK2(Human)
D3R/Abbott

LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataKd:  1.00E+4nMAssay Description:D3R2022More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2023
Entry Details
D3R

TargetVascular endothelial growth factor receptor 2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataKd:  19nMAssay Description:Binding affinity to human N-terminal His-tagged non-phosphorylated VEGFR2 by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetVascular endothelial growth factor receptor 2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 14nMAssay Description:Inhibition of human N-terminal His-tagged phosphorylated VEGFR2 preincubated for 120 mins in presence of ATP by AlphaScreen analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetVascular endothelial growth factor receptor 2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 46nMAssay Description:Inhibition of human N-terminal His-tagged phosphorylated VEGFR2 in presence of ATP measured without preincubation by AlphaScreen analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetVascular endothelial growth factor receptor 2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 0.0330nMAssay Description:Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 preincubated for 120 mins in presence of ATP by AlphaScreen analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetVascular endothelial growth factor receptor 2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 4.70nMAssay Description:Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 in presence of ATP measured without preincubation by AlphaScreen analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetFibroblast growth factor receptor 1(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of FGFR1More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetFibroblast growth factor receptor 1(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of His-tagged human FGFR1 expressed in Sf9 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetVascular endothelial growth factor receptor 2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 6.20nMAssay Description:Inhibition of human VEGFR2More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAurora kinase A(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 1.05E+3nMAssay Description:Inhibition of aurora AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetInsulin receptor(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of IRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetProtein kinase C theta type(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PKCthetaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetAngiopoietin-1 receptor(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 20nMAssay Description:Inhibition of Tie2More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetVascular endothelial growth factor receptor 1(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 15nMAssay Description:Inhibition of VEGFR1More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetPlatelet-derived growth factor receptor alpha(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 35nMAssay Description:Inhibition of PDGFRalphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetPlatelet-derived growth factor receptor beta(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 96nMAssay Description:Inhibition of PDGFRbetaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetFibroblast growth factor receptor 1(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of FGFR1More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetMitogen-activated protein kinase 3(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ERK1More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of HER2More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetEpidermal growth factor receptor(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of EGFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetInsulin-like growth factor 1 receptor(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of IGF1RMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetMast/stem cell growth factor receptor Kit(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 170nMAssay Description:Inhibition of c-KitMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of SRCMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetFocal adhesion kinase 1(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibition of FAKMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataIC50: 900nMAssay Description:Inhibition of B-RafMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetVascular endothelial growth factor receptor 2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataKi:  0.0240nMAssay Description:Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 60 mins by activity based 100 fold dilution assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetVascular endothelial growth factor receptor 2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataKi:  0.0440nMAssay Description:Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 60 mins by ligand displacement based enzyme-inhibitor dilution assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetVascular endothelial growth factor receptor 2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 10 mins by Global fit analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetVascular endothelial growth factor receptor 2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50327046(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Affinity DataKi:  23nMAssay Description:Inhibition of human N-terminal His-tagged phosphorylated VEGFR2 in presence of ATP measured without preincubation by AlphaScreen analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)