BDBM50322823 (S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide::AFATINIB::CHEMBL1173655::US10085983, Compound BIBW2992::US10196365, Afatinib::US10435400, Compound BIBW2992::US11896597, Compound Afatinib::US9388170, Afatinib::US9890168, Compound BIBW2992::WO2022090481, Example afatinib

SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1

InChI Key InChIKey=ULXXDDBFHOBEHA-CWDCEQMOSA-N

Data  139 IC50  444 Kd  5 EC50

PDB links: 1 PDB ID matches 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 15 hits for monomerid = 50322823   

TargetPlatelet-derived growth factor receptor beta(Homo sapiens (Human))
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of PDGFR-beta (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMast/stem cell growth factor receptor Kit(Homo sapiens (Human))
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of c-Kit (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPlatelet-derived growth factor receptor alpha(Homo sapiens (Human))
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of PDGFR-alpha (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50:  0.670nMAssay Description:Inhibition of wild-type EGFR (14 to 721 residues) (unknown origin) by western blot analysisMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50:  3.70nMAssay Description:Inhibition of recombinant human EGFR L858R/T790M double mutant using GGMEDIYFEFMGG as substrate in presence of ATP by radiometric assayMore data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of SRC (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50:  13nMAssay Description:Inhibition of HER2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReceptor tyrosine-protein kinase erbB-4(Homo sapiens (Human))
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50:  7.20nMAssay Description:Inhibition of HER4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of VEGFR2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEphrin type-A receptor 2(Homo sapiens (Human))
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of EPH-A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetInsulin-like growth factor 1 receptor(Homo sapiens (Human))
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of IGF1R (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of ABL (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetFibroblast growth factor receptor 1(Homo sapiens (Human))
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of FGFR1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetVascular endothelial growth factor receptor 1(Homo sapiens (Human))
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of Flt-1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProto-oncogene tyrosine-protein kinase receptor Ret(Homo sapiens (Human))
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of RET (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed