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
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50161957   

TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding

Curated by ChEMBL
LigandPNGBDBM50161957(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Affinity DataIC50:  5.60nMAssay Description:Inhibition of wild type human GST-tagged HER2 (676 to end residues) expressed in baculovirus infected Sf9 cells incubated for 30 mins in presence of ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding

Curated by ChEMBL
LigandPNGBDBM50161957(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Affinity DataIC50:  0.580nMAssay Description:Inhibition of wild type human N-terminal GST tagged EGFR (669 to 1210 residues) expressed in Sf21 insect cells incubated for 30 mins in presence of A...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding

Curated by ChEMBL
LigandPNGBDBM50161957(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Affinity DataIC50:  6.10nMAssay Description:Inhibition of HER2 D769H mutant (unknown origin) incubated for 120 mins in presence of 33P-ATP by P81 ion exchange cellulose chromatographyMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding

Curated by ChEMBL
LigandPNGBDBM50161957(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Affinity DataIC50:  29nMAssay Description:Inhibition of HER2 D769Y mutant (unknown origin) incubated for 120 mins in presence of 33P-ATP by P81 ion exchange cellulose chromatographyMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding

Curated by ChEMBL
LigandPNGBDBM50161957(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Affinity DataIC50:  4.40nMAssay Description:Inhibition of HER2 V777L mutant (unknown origin) incubated for 120 mins in presence of 33P-ATP by P81 ion exchange cellulose chromatographyMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding

Curated by ChEMBL
LigandPNGBDBM50161957(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Affinity DataIC50:  1.80nMAssay Description:Inhibition of HER2 R896C mutant (unknown origin) incubated for 120 mins in presence of 33P-ATP by P81 ion exchange cellulose chromatographyMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding

Curated by ChEMBL
LigandPNGBDBM50161957(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Affinity DataIC50:  4.60nMAssay Description:Inhibition of HER2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding

Curated by ChEMBL
LigandPNGBDBM50161957(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Affinity DataIC50:  0.390nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed