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 5 hits for monomerid = 50161957   

TargetEpidermal growth factor receptor(Homo sapiens (Human))
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50161957(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Affinity DataIC50:  92nMAssay Description:Inhibition of EGFR phosphorylation (645 to 1186 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 15 mins i...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50161957(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Affinity DataIC50:  59nMAssay Description:Inhibition of HER2 phosphorylation (676 to 1255 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 15 mins i...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50161957(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Affinity DataEC50:  3nMAssay Description:Inhibition of EGF-stimulated EGFR phosphorylation in human A-431 cells incubated for 3 hrs followed by replacement with fresh medium without compound...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50161957(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Affinity DataEC50:  5nMAssay Description:Inhibition of HER2 phosphorylation in human BT-474 cells incubated for 3 hrs followed by replacement with fresh medium without compound measured afte...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50161957(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Affinity DataEC50: <100nMAssay Description:Inhibition of EGFR phosphorylation in human NCI-H1975 cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed