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 16 hits for monomerid = 5446   

TargetCyclin-G-associated kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataKd:  3.10nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCyclin-G-associated kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataKd:  40nMAssay Description:Average Binding Constant for GAK; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-G-associated kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataKd:  3.10nMAssay Description:Binding affinity to human GAK fused to T7 bacteriophage after 1 hr by qPCR analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-G-associated kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataKd:  3.10nMAssay Description:Binding constant for GAK kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-G-associated kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataKd:  40nMAssay Description:Inhibition of GakMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-G-associated kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataKd:  3.10nMAssay Description:Binding constant for GAK kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-G-associated kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataKd:  3.10nMAssay Description:Binding affinity to DNA-tagged human GAK expressed in Escherichia coli BL21 using immobilised ligand incubated for 1 hr by quantitative PCRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-G-associated kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
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
TargetCyclin-G-associated kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
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
TargetCyclin-G-associated kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataKd:  3.10nMAssay Description:Binding affinity to GAK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-G-associated kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataKd:  3.10nMAssay Description:Binding affinity to GAK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-G-associated kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataKd:  3.10nMAssay Description:Binding affinity to GAK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-G-associated kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataKd:  3.10nMAssay Description:Binding affinity to T7-tagged GAK (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-G-associated kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataIC50:  38nMAssay Description:Inhibition of GAK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-G-associated kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataKd:  21nMAssay Description:Binding affinity to GAK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-G-associated kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataKd:  3.10nMAssay Description:Binding affinity to GAK (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In DepthDetails PubMed