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 4 hits for monomerid = 5446   

TargetEpidermal growth factor receptor(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataKd:  0.700nMAssay Description:Binding affinity to wild-type human partial length EGFR (R669 to V1011 residues) expressed in bacterial expression system by Kinomescan methodMore data for this Ligand-Target Pair
TargetCyclin-G-associated kinase(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataKd:  3.10nMAssay Description:Binding affinity to wild-type human partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by Kinomescan methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataIC50:  30nMAssay Description:Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...More data for this Ligand-Target Pair
TargetCyclin-G-associated kinase(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataIC50:  910nMAssay Description:Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed