BDBM50311470 CHEMBL1079742::CP-358774-01::ERLOTINIB HYDROCHLORIDE::Erlotinib::OSI-774

SMILES C#Cc3cccc(Nc1ncnc2cc(OCCOC)c(OCCOC)cc12)c3

InChI Key InChIKey=AAKJLRGGTJKAMG-UHFFFAOYSA-N

Data  14 IC50  1 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 15 hits for monomerid = 50311470   

TargetEpidermal growth factor receptor(Human)
National University of Singapore

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50311470BDBM50311470(CHEMBL1079742 | Erlotinib | CP-358774-01 | OSI-774...)
Affinity DataIC50: 0.0500nMAssay Description:Inhibition of EGFR del19 mutant (unknown origin) by kinomescan analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
National University of Singapore

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50311470BDBM50311470(CHEMBL1079742 | Erlotinib | CP-358774-01 | OSI-774...)
Affinity DataIC50: 0.109nMAssay Description:Inhibition of EGFR L858R mutant (unknown origin) by kinomescan analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
National University of Singapore

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50311470BDBM50311470(CHEMBL1079742 | Erlotinib | CP-358774-01 | OSI-774...)
Affinity DataIC50: 0.75nMAssay Description:Inhibition of EGFR C797S mutant (unknown origin) by kinomescan analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
National University of Singapore

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50311470BDBM50311470(CHEMBL1079742 | Erlotinib | CP-358774-01 | OSI-774...)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of N-terminal GST-tagged recombinant human EGFR (668 to end residues) expressed in baculovirus infected Sf9 cells incubated for 1 hrs in p...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)
National University of Singapore

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50311470BDBM50311470(CHEMBL1079742 | Erlotinib | CP-358774-01 | OSI-774...)
Affinity DataIC50: 2nMAssay Description:Inhibition of human EGFR L858R mutant by discoverX kinome scan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
National University of Singapore

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50311470BDBM50311470(CHEMBL1079742 | Erlotinib | CP-358774-01 | OSI-774...)
Affinity DataIC50: 4.80nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
National University of Singapore

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50311470BDBM50311470(CHEMBL1079742 | Erlotinib | CP-358774-01 | OSI-774...)
Affinity DataIC50: 12nMAssay Description:Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system incubated for 1 h...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase B-raf(Human)
Princess Nourah bint Abdulrahman University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50311470BDBM50311470(CHEMBL1079742 | Erlotinib | CP-358774-01 | OSI-774...)
Affinity DataIC50: 60nMAssay Description:Inhibition of BRAF V600E mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
National University of Singapore

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50311470BDBM50311470(CHEMBL1079742 | Erlotinib | CP-358774-01 | OSI-774...)
Affinity DataIC50: 80nMAssay Description:Inhibition of his6-tagged EGFR (unknown origin) (641 to 1186 residues) expressed in baculovirus Sf9 cells incubated for 1 hr in presence of ATP and M...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
National University of Singapore

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50311470BDBM50311470(CHEMBL1079742 | Erlotinib | CP-358774-01 | OSI-774...)
Affinity DataIC50: 80nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
National University of Singapore

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50311470BDBM50311470(CHEMBL1079742 | Erlotinib | CP-358774-01 | OSI-774...)
Affinity DataIC50: 135nMAssay Description:Inhibition of EGFR (unknown origin) mediated phosphorylation incubated for 2 hrs in presence of ATP by Z-LYTE assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
National University of Singapore

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50311470BDBM50311470(CHEMBL1079742 | Erlotinib | CP-358774-01 | OSI-774...)
Affinity DataIC50: 201nMAssay Description:Inhibition of EGFR (unknown origin) by Z-LYTE kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAP2-associated protein kinase 1(Human)
National Clinical Research Center for Geriatrics

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50311470BDBM50311470(CHEMBL1079742 | Erlotinib | CP-358774-01 | OSI-774...)
Affinity DataKd:  1.20E+3nMAssay Description:Binding affinity to AAK1 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
National University of Singapore

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50311470BDBM50311470(CHEMBL1079742 | Erlotinib | CP-358774-01 | OSI-774...)
Affinity DataIC50: 4.61E+3nMAssay Description:Inhibition of EGFR in human A549 cells incubated for 24 hrs by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetLysine-specific histone demethylase 1A(Human)
Zhengzhou University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50311470BDBM50311470(CHEMBL1079742 | Erlotinib | CP-358774-01 | OSI-774...)
Affinity DataIC50: 3.58E+4nMAssay Description:Inhibition of recombinant LSD1 (unknown origin) expressed in BL21(DE3) cells using H3K4me2 as substrate preincubated for 10 mins followed by substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed