BDBM50453891 CHEMBL4214567

SMILES c1ccc2c(c1)CN(C2=O)[C@H](c3cc(ccc3O)F)C(=O)Nc4nccs4

InChI Key InChIKey=YTUFHOKUFOQRDF-UHFFFAOYSA-N

Data  14 IC50

PDB links: 4 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50453891   

TargetEpidermal growth factor receptor(Human)
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50453891(CHEMBL4214567)
Affinity DataIC50: 3nMAssay Description:Inhibition of EGFR L858R/T790M mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50453891(CHEMBL4214567)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of wild-type EGFR (unknown origin) using Poly(Glu,Tyr) 4:1 as substrate after 60 mins by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50453891(CHEMBL4214567)
Affinity DataIC50: 73nMAssay Description:Inhibition of human C-terminal His-tagged and N-terminal GST-tagged EGFR L858R/T790M/C797S triple mutant ( 668 to 1210 amino acids) expressed in bacu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50453891(CHEMBL4214567)
Affinity DataIC50: 3nMAssay Description:Inhibition of human EGFR L858R/T790M mutant (696 to 1022 residues) expressed in Sf9 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)
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50453891(CHEMBL4214567)
Affinity DataIC50: 6nMAssay Description:Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin) phosphorylation expressed in mouse BaF3 cells measured after 4 hrs by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50453891(CHEMBL4214567)
Affinity DataIC50: 460nMAssay Description:Inhibition of EGFR L858R/C797S mutant (unknown origin) phosphorylation expressed in mouse BaF3 cells measured after 4 hrs by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Relay Therapeutics

Curated by ChEMBL
LigandPNGBDBM50453891(CHEMBL4214567)
Affinity DataIC50: 3nMAssay Description:Inhibition of human GST-fused EGFR T790M/C797S double mutant expressed in Sf9 insect cells by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50453891(CHEMBL4214567)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of wild type EGFR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50453891(CHEMBL4214567)
Affinity DataIC50: 3nMAssay Description:Inhibition of EGFR L858R/T790M double mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50453891(CHEMBL4214567)
Affinity DataIC50: 3nMAssay Description:Inhibition of human EGFR T790M mutant (696 to 1022 residues) expressed in insect sf9 cells in presence of ATP by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50453891(CHEMBL4214567)
Affinity DataIC50: 3nMAssay Description:Inhibition of human GST-tagged EGFR L858R/T790M mutant expressed in Sf9 insect cells using ATP as substrate by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50453891(CHEMBL4214567)
Affinity DataIC50: 4.30E+3nMAssay Description:Inhibition of human wild type EGFR expressed in Sf9 insect cells using ATP as substrate by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50453891(CHEMBL4214567)
Affinity DataIC50: 1.50E+4nMAssay Description:Displacement of sapitinib-BODIPY tracer from C-terminal NanoLuc-fused full length wild type EGFR (unknown origin) transfected in HEK293T cells incuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50453891(CHEMBL4214567)
Affinity DataIC50: 3.30nMAssay Description:Inhibition of his-GST tagged human EGFR L858R/T790M double mutant expressed in insect cells incubated for 30 mins in presence of ATP by HTRF kinase a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)