BDBM50182685 CHEMBL545315::CI-1033::Canertinib dihydrochloride::N-[4-(3-Chloro-4-fluoro-phenylamino)-7-(3-morpholin-4-yl-propoxy)-quinazolin-6-yl]-acrylamide, hydrochloride (CI-1033)

SMILES C=CC(=O)Nc3cc2c(Nc1ccc(F)c(Cl)c1)ncnc2cc3OCCCN4CCOCC4

InChI Key InChIKey=OMZCMEYTWSXEPZ-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 50182685   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 0.300nMAssay Description:Inhibition of domain-GST fused human wild-type EGFR expressing in Sf9 cells using pEY (4:1) and bio-pEY as substrate for 30 min in the presence of AT...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)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 0.400nMAssay Description:Inhibition of domain-GST fused human EGFR L858R mutant expressing in Sf9 cells using pEY (4:1) and bio-pEY as substrate for 30 min in the presence of...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)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of purified ErbB1 (unknown origin)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)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 1nMAssay Description:Inhibition of EGFR L858R mutant expressing in human NCI-H3255 cells assessed as cell survival incubated for 2 weeks and measured after 6 hrs by MTS a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Mouse)
Harvard Medical School

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 1.60nMAssay Description:Inhibition of EGFR expressed in mouse NIH3T3 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of EGFR (unknown origin)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)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of GST- tagged EGFR (unknown origin) expressed in baculovirus infected Sf9 insect cells by ELISA analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Pfizer

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 5nMAssay Description:Inhibition of erbB2 in human MDA-MB-453 cells assessed as reduction in heregulin-stimulated tyrosine phosphorylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetReceptor tyrosine-protein kinase erbB-4(Human)
Ann Arbor Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 7nMAssay Description:Inhibition of purified ErbB4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 7.40nMAssay Description:Inhibition of EGFR in human A-431 cells assessed as reduction in EGFR at tyrosine phosphorylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReceptor tyrosine-protein kinase erbB-4(Human)
Ann Arbor Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 10nMAssay Description:Inhibition of erbB4 in human MDA-MB-453 cells assessed as reduction in heregulin-stimulated tyrosine phosphorylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 11nMAssay Description:Inhibition of erbB in human MDA-MB-453 cells assessed as reduction in heregulin-stimulated pp62(c-fos) expressionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Pfizer

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 11nMAssay Description:Inhibition of GST- tagged ERBB2 (unknown origin) expressed in baculovirus infected Sf9 insect cells by ELISA analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetReceptor tyrosine-protein kinase erbB-3(Human)
Pfizer

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 14nMAssay Description:Inhibition of erbB3 in human MDA-MB-453 cells assessed as reduction in heregulin-stimulated tyrosine phosphorylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Mus musculus)
Harvard Medical School

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 16nMAssay Description:Inhibition of ERBB2 expressed in mouse NIH3T3 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Pfizer

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 19nMAssay Description:Inhibition of purified ErbB2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataEC50:  22nMAssay Description:Inhibition of EGFR-phosphorylation in EGFR expressing human A-431 cells incubated for 1 hr followed by EGF stimulation for 20 min by ELISA methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 26nMAssay Description:Inhibition of domain-GST fused human EGFR L858R/T790M double mutant expressing in Sf9 cells using pEY (4:1) and bio-pEY as substrate for 30 min in th...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReceptor tyrosine-protein kinase erbB-4(Human)
Ann Arbor Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 27nMAssay Description:Inhibition of GST- tagged ERBB4 (unknown origin) expressed in baculovirus infected Sf9 insect cells by ELISA analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Pfizer

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 30nMAssay Description:Inhibition of domain-GST fused human HER2 expressing in Sf9 cells using pEY (4:1) and bio-pEY as substrate for 30 min in the presence of ATP by ELISA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Pfizer

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataEC50:  85nMAssay Description:Inhibition of human HER2-phosphorylation in HER2 expressing mouse NIH3T3 cells incubated for 1 hr followed by EGF stimulation for 20 min by ELISA met...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 101nMAssay Description:Inhibition of EGFR L858R/T790M double mutant expressing in human NCI-H1975 cells assessed as cell survival incubated for 2 weeks and measured after 6...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Pfizer

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataEC50:  184nMAssay Description:Inhibition of HER2-phosphorylation in HER2 expressing human BT-474 cells incubated for 1 hr followed by EGF stimulation for 20 min by ELISA methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 198nMAssay Description:Inhibition of wild-type EGFR expressing in human NCI-H1666 cells assessed as cell survival incubated for 2 weeks and measured after 6 hrs by MTS assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Pfizer

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataEC50:  288nMAssay Description:Inhibition of HER2-phosphorylation in HER2 expressing human NCI-N87 cells incubated for 1 hr followed by EGF stimulation for 20 min by ELISA methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 1.48E+3nMAssay Description:Inhibition of c-SRC (249 to 536 residues) (unknown origin) using pEY (4:1) and bio-pEY as substrate for 30 min in the presence of ATP by ELISA methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of purified Pp60Src (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Knight Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 4.17E+3nMAssay Description:Inhibition of EGFR/ERB2 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Knight Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 5.25E+3nMAssay Description:Inhibition of EGFR/ERB2 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueou...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Knight Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 6.92E+3nMAssay Description:Inhibition of EGFR/ERB2 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell pro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Knight Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 9.77E+3nMAssay Description:Inhibition of EGFR/ERB2 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Knight Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of EGFR/ERB2 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell prol...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Knight Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of EGFR/ERB2 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetHepatocyte growth factor receptor(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of domain-GST fused HGFR (unknown origin) expressing in an Sf9 infected baculovirus expression system by ELISA methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetVascular endothelial growth factor receptor 2(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 2.49E+4nMAssay Description:Inhibition of VEGFR-2 (978 to 1408 residues) (unknown origin) using pEY (4:1) and bio-pEY as substrate for 20 min in the presence of ATP by ELISA met...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetInsulin receptor(Human)
Ann Arbor Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of purified INSR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Knight Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of purified CDK1/Cyclin B (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Knight Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of purified CDK4/Cyclin D1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Knight Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50182685BDBM50182685(Canertinib dihydrochloride | CI-1033 | N-[4-(3-Chl...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of purified PKC (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed