BDBM5446 CHEMBL553::ERLOTINIB HYDROCHLORIDE::Erlotinib::Erotinib::N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine Monohydrochloride::N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine::OSI-774::Tarceva::US10189853, erlotinib::US10507209, Compound Erlotinib::US11524945, Compound Erlotinib::US9409845, Table 1, Compound 22: erlotinib::US9730934, Erlotinib::WO2022090481, Example erlotinib::cid_176870

SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

InChI Key InChIKey=AAKJLRGGTJKAMG-UHFFFAOYSA-N

Data  22 KI  270 IC50  871 Kd  2 EC50

PDB links: 3 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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 5446   

TargetEpidermal growth factor receptor(Homo sapiens (Human))
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataIC50:  9.74E+3nMAssay Description:Inhibition of EGFR T790M/exon 19 deletion mutant phosphorylation in human PC9-DRH cells preincubated for 2 hrs followed by EGF stimulation for 10 min...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataIC50:  11nMAssay Description:Inhibition of EGFR exon 19 deletion mutant phosphorylation in human PC9 cells preincubated for 2 hrs followed by EGF stimulation for 10 mins by sandw...More data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-3(Homo sapiens (Human))
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataIC50:  10nMAssay Description:Inhibition of EGFR L858R mutant phosphorylation in human H3255 cells preincubated for 2 hrs followed by EGF stimulation for 10 mins by sandwich ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataIC50:  9.00E+3nMAssay Description:Inhibition of EGFR T790M/L858R double mutant phosphorylation in human H1975 cells preincubated for 2 hrs followed by EGF stimulation for 10 mins by s...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataIC50:  11nMAssay Description:Inhibition of EGF-stimulated wild-type EGFR phosphorylation in human A549 cells preincubated for 2 hrs followed by EGF stimulation for 10 mins by san...More data for this Ligand-Target Pair