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.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50453891   

TargetEpidermal growth factor receptor(Human)
R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(CHEMBL4214567)
In Depth
Date in BDB:
6/5/2026
Entry Details PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(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)
R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(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)
R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(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)
Relay Therapeutics

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(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)
R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(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)
R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(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)
R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(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)
TargetEpidermal growth factor receptor(Human)
R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(CHEMBL4214567)
In Depth
Date in BDB:
6/5/2026
Entry Details PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(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)
R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(CHEMBL4214567)
Affinity DataIC50: 13nMAssay Description:Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) expressed in Bac-to-Bac baculovirus expression system measured after 2 hrs by ELI...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(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)
R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(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)
R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(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)
R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(CHEMBL4214567)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of recombinant human wild type EGFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(CHEMBL4214567)
Affinity DataIC50: 1.60E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(CHEMBL4214567)
Affinity DataIC50: 4.30E+3nMAssay Description:Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/3/2026
Entry Details PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(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)
R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(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)
R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50453891BDBM50453891(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)