BDBM26105 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine::AEE788

SMILES CCN1CCN(Cc2ccc(cc2)-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)CC1

InChI Key InChIKey=OONFNUWBHFSNBT-HXUWFJFHSA-N

Data  6 IC50  7 Kd

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 26105   

TargetEpidermal growth factor receptor(Human)
Harvard Medical School

LigandPNGBDBM26105(6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...)
Affinity DataKd:  10.9nMpH: 7.4 T: 22°CAssay Description:The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [696-1022,G719S](Human)
Harvard Medical School

LigandPNGBDBM26105(6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...)
Affinity DataKd:  11.3nMpH: 7.4 T: 22°CAssay Description:The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [696-1022,L858R](Human)
Harvard Medical School

LigandPNGBDBM26105(6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...)
Affinity DataKd:  1.70nMpH: 7.4 T: 22°CAssay Description:The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Human)
Harvard Medical School

LigandPNGBDBM26105(6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...)
Affinity DataKd:  5.30nMpH: 7.4 T: 22°CAssay Description:The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [696-1022,T790M](Human)
Harvard Medical School

LigandPNGBDBM26105(6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...)
Affinity DataKd:  27.6nMpH: 7.4 T: 22°CAssay Description:The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [696-1022,L858R](Human)
Harvard Medical School

LigandPNGBDBM26105(6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...)
Affinity DataKd:  1.10nMpH: 7.4 T: 22°CAssay Description:The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase Yes(Human)
Frederick National Laboratory For Cancer Research

Curated by ChEMBL
LigandPNGBDBM26105(6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...)
Affinity DataIC50:  18nMAssay Description:Inhibition of Yes1 (unknown origin) assessed as kinase-dependent enzymatic production of ADP from ATP using coupled luminescence-based reaction by AD...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProto-oncogene tyrosine-protein kinase receptor Ret(Human)
National Tsing Hua University

Curated by ChEMBL
LigandPNGBDBM26105(6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...)
Affinity DataIC50:  740nMAssay Description:Inhibition of RET kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Human)
Harvard Medical School

LigandPNGBDBM26105(6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...)
Affinity DataIC50:  2nMAssay Description:Inhibition of EGFR by Z-LYTE assayMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 1(Human)
University of Genoa

Curated by ChEMBL
LigandPNGBDBM26105(6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...)
Affinity DataIC50:  59nMAssay Description:Inhibition of VEGFR1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVascular endothelial growth factor receptor 2(Human)
University of Genoa

Curated by ChEMBL
LigandPNGBDBM26105(6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...)
Affinity DataIC50:  77nMAssay Description:Inhibition of VEGFR2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Yes(Human)
Frederick National Laboratory For Cancer Research

Curated by ChEMBL
LigandPNGBDBM26105(6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...)
Affinity DataIC50:  13nMAssay Description:Inhibition of Yes1 (unknown origin) by [gamma-33P]-ATP radiolabeled enzyme activity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM26105(6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...)
Affinity DataKd:  18.6nMpH: 7.4 T: 22°CAssay Description:The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro...More data for this Ligand-Target Pair