BDBM50161957 4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(pyridin-2-ylmethoxy)-phenylamino]-3-cyano-7-ethoxy-quinolin-6-yl}-amide::CHEMBL180022::HKI-272::N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide::N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide::NERATINIB::US10822334, Compound Neratinib::US11896597, Compound Neratinib::US20230382923, Compound Neratinib

SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

InChI Key InChIKey=JWNPDZNEKVCWMY-VQHVLOKHSA-N

Data  54 IC50  446 Kd  7 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50161957   

TargetEpidermal growth factor receptor(Homo sapiens (Human))
Tu Dortmund University

Curated by ChEMBL
LigandPNGBDBM50161957(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Affinity DataIC50: <14nMAssay Description:Inhibiton of EGFR L858R/T790M mutant (unknown origin) expressed in human NCI-H1975 cells assessed as reduction in EGFR induced cell viability after 9...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Tu Dortmund University

Curated by ChEMBL
LigandPNGBDBM50161957(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Affinity DataIC50:  1.01E+4nMAssay Description:Inhibiton of EGFR (unknown origin) expressed in human A431 cells assessed as reduction in EGFR induced cell viability after 96 hrs by CellTiter-Glo a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Tu Dortmund University

Curated by ChEMBL
LigandPNGBDBM50161957(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Affinity DataIC50:  0.800nMAssay Description:Inhibition of human N-terminal GST-tagged EGFR L858R/T790M mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Tu Dortmund University

Curated by ChEMBL
LigandPNGBDBM50161957(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Affinity DataIC50:  0.0200nMAssay Description:Inhibition of human N-terminal GST-tagged EGFR L858R mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as sub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Tu Dortmund University

Curated by ChEMBL
LigandPNGBDBM50161957(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Affinity DataIC50:  0.0200nMAssay Description:Inhibition of human N-terminal GST-tagged EGFR (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as substrate preinc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Tu Dortmund University

Curated by ChEMBL
LigandPNGBDBM50161957(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Affinity DataIC50:  9.70nMAssay Description:Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed