BDBM50529376 CHEMBL4520903::US11584746, Compound I-b

SMILES Fc1ccc2Nc3ccccc3C(=O)N(Cc3ccccc3)c2c1

InChI Key InChIKey=NKFCUHMOEKHJLB-UHFFFAOYSA-N

Data  10 IC50

PDB links: 2 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 10 hits for monomerid = 50529376   

TargetEpidermal growth factor receptor(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50529376(CHEMBL4520903 | US11584746, Compound I-b)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human N-terminal GST-tagged EGFR (696 to 1022 residues) expressed in Sf21 insect cells by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50529376(CHEMBL4520903 | US11584746, Compound I-b)
Affinity DataIC50: 9.70E+3nMAssay Description:Inhibition of EGFR (unknown origin) expressed in mouse Ba/F3 cells assessed as reduction in cell growth incubated for 72 hrs in presence of 1 ug/ml C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50529376(CHEMBL4520903 | US11584746, Compound I-b)
Affinity DataIC50: 39nMAssay Description:Inhibition of human N-terminal GST-tagged EGFR double T790M/L858R mutant (696 to 1022 residues) expressed in Sf21 insect cells by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50529376(CHEMBL4520903 | US11584746, Compound I-b)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of EGFR triple T790M/L858R/C797S mutant (unknown origin) expressed in mouse Ba/F3 cells assessed as reduction in cell growth incubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50529376(CHEMBL4520903 | US11584746, Compound I-b)
Affinity DataIC50: 59nMAssay Description:Inhibition of human N-terminal GST-tagged EGFR triple T790M/L858R/C797S mutant (696 to 1022 residues) expressed in Sf21 insect cells by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50529376(CHEMBL4520903 | US11584746, Compound I-b)
Affinity DataIC50: 690nMAssay Description:Inhibition of human N-terminal GST-tagged EGFR L858R mutant (696 to 1022 residues) expressed in Sf21 insect cells by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50529376(CHEMBL4520903 | US11584746, Compound I-b)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of EGFR double T790M/L858R mutant (unknown origin) expressed in mouse Ba/F3 cells assessed as reduction in cell growth incubated for 72 hr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50529376(CHEMBL4520903 | US11584746, Compound I-b)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse Ba/F3 cells assessed as reduction in cell growth incubated for 72 hrs in presence...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor [T790M,L858R](Human)
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM50529376(CHEMBL4520903 | US11584746, Compound I-b)
Affinity DataIC50: 250nMAssay Description:IC50 values were determined at both 1 μM and 1 mM ATP to identify both ATP competitive and non-competitive compounds. Hits were also counter-scr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/9/2023
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50529376(CHEMBL4520903 | US11584746, Compound I-b)
Affinity DataIC50: 59nMAssay Description:Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)