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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 5446   

TargetInsulin-like growth factor 1 receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataIC50:  34nMAssay Description:Inhibition of EGFR intracellular phosphorylation in human A431 cells by ELISAMore data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataIC50:  5.20E+3nMAssay Description:Inhibition of ErbB2 by time resolved fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataIC50:  6.73E+3nMAssay Description:Inhibition of ERBb2 phosphorylation in human MIAPaCa cells by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataIC50:  51nMAssay Description:Inhibition of EGFR phosphorylation in human MIAPaCa cells by ELISAMore data for this Ligand-Target Pair
TargetInsulin-like growth factor 1 receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of IGF1R phosphorylation in human MIAPaCa cells by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed