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-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 523 hits for monomerid = 50161957
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
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
Affinity DataIC50: 0.0800nMAssay Description:Inhibition of human EGFR in presence of 1 uM ATPMore data for this Ligand-Target Pair
Affinity DataIC50: 0.180nMAssay Description:Inhibition of human EGFR in presence of 1 mM ATPMore data for this Ligand-Target Pair
Affinity DataKd: 0.370nMAssay Description:Binding constant for EGFR(L861Q) kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 0.370nMAssay Description:Binding constant for EGFR(G719C) kinase domainMore data for this Ligand-Target Pair
Affinity DataIC50: 0.390nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
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
Affinity DataKd: 0.610nMAssay Description:Binding constant for EGFR(L747-E749del, A750P) kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 0.630nMAssay Description:Binding constant for EGFR(S752-I759del) kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase kinase 5(Human)
Ambit Biosciences
Curated by ChEMBL
Ambit Biosciences
Curated by ChEMBL
Affinity DataKd: 0.650nMAssay Description:Binding constant for MAP4K5 kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 0.670nMAssay Description:Binding constant for EGFR(L858R) kinase domainMore data for this Ligand-Target Pair
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
Affinity DataKd: 0.910nMAssay Description:Binding constant for EGFR(G719S) kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 0.930nMAssay Description:Binding constant for EGFR(L747-S752del, P753S) kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 1nMAssay Description:Binding constant for EGFR(L747-T751del,Sins) kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 1.10nMAssay Description:Binding constant for EGFR kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 1.10nMAssay Description:Binding affinity to wild-type human partial length EGFR (R669 to V1011 residues) expressed in bacterial expression system by Kinomescan methodMore data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255](Human)
Dizal (Jiangsu) Pharmaceutical
US Patent
Dizal (Jiangsu) Pharmaceutical
US Patent
Affinity DataIC50: 1.20nMAssay Description:The inhibition activity and the selectivity of the compounds against mutant EGFR and WT EGFR were assessed by using WT EGFR cell line A-431 (American...More data for this Ligand-Target Pair
Affinity DataIC50: 1.40nMAssay Description:Inhibition of probe binding to EGFR L858R mutant (unknown origin) using rabbit reticulate lysate system after 1 hr by luminescence assayMore data for this Ligand-Target Pair
Affinity DataKd: 1.5nMAssay Description:Binding constant for EGFR(T790M) kinase domainMore data for this Ligand-Target Pair
Affinity DataIC50: 1.73nMAssay Description:EGFR: The compounds' inhibition of target modulation were determined as follows: NCI-H838 cells were sorted in 96 well plates (20000 cells/well) ...More data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
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
TargetEpidermal growth factor receptor [1-769,'ASV',770-1210](Human)
Dizal (Jiangsu) Pharmaceutical
US Patent
Dizal (Jiangsu) Pharmaceutical
US Patent
Affinity DataIC50: 1.90nMAssay Description:The inhibition activity and the selectivity of the compounds against mutant EGFR and WT EGFR were assessed by using WT EGFR cell line A-431 (American...More data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
Affinity DataIC50: 1.96nMAssay Description:HER2: The compounds' inhibition of target modulation were determined as follows: BT474 cells were sorted in 96 well plates (20000 cells/well) wit...More data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
Affinity DataEC50: 2nMAssay Description:Inhibition of human Her2 in BT474 cellsMore data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
Affinity DataEC50: 2nMAssay Description:Inhibition of human Her2 in SKBR3 cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 2.20nMAssay Description:Inhibition of recombinant EGFR (unknown origin) after 10 mins by DELFIA/time-resolved fluorometryMore data for this Ligand-Target Pair
Affinity DataIC50: 2.30nMAssay Description:The inhibition activity and the selectivity of the compounds against mutant EGFR and WT EGFR were assessed by using WT EGFR cell line A-431 (American...More data for this Ligand-Target Pair
Affinity DataKd: 2.30nMAssay Description:Binding constant for EGFR(E746-A750del) kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 2.40nMAssay Description:Binding constant for ERBB4 kinase domainMore data for this Ligand-Target Pair
Affinity DataIC50: 2.5nMAssay Description:Inhibition of human wild type EGFR expressed in Sf9 cells using [gamma32P]-ATP after 10 mins by scintillation countingMore data for this Ligand-Target Pair
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
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
Affinity DataIC50: 3.40nMAssay Description:Inhibition of wild type HER2 (unknown origin) using 4 x ULightTM-labeled Ploy GT peptide substrate measured after 180 minsMore data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-2 [V777L](Homo sapiens (Human))
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
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
Affinity DataKi: 4.5nMAssay Description:Binding affinity to EGFR L858R/T790M double mutant (unknown origin) assessed as apparent inhibition constant in presence of ATP by TR-FRET assayMore data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
Affinity DataIC50: 4.60nMAssay Description:Inhibition of HER2 (unknown origin)More data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
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
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
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
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
Affinity DataKd: 6nMAssay Description:Binding constant for ERBB2 kinase domainMore data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
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
Affinity DataKd: 6.5nMAssay Description:Binding constant for MST3 kinase domainMore data for this Ligand-Target Pair
Affinity DataKi: 6.90nMAssay Description:Binding affinity to wild type GST-tagged EGFR (unknown origin) assessed as apparent inhibition constant in presence of ATP by TR-FRET assayMore data for this Ligand-Target Pair
Affinity DataIC50: 7nMAssay Description:Inhibition of MST4 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 7nMAssay Description:Inhibition of MST3 (unknown origin)More data for this Ligand-Target Pair
Affinity DataKd: 7.40nMAssay Description:Binding constant for MST4 kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase kinase 3(Human)
Ambit Biosciences
Curated by ChEMBL
Ambit Biosciences
Curated by ChEMBL
Affinity DataKd: 7.70nMAssay Description:Binding constant for MAP4K3 kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 7.70nMAssay Description:Binding constant for ERBB3 kinase domainMore data for this Ligand-Target Pair
Affinity DataIC50: 9.70nMAssay Description:The inhibition activity and the selectivity of the compounds against mutant EGFR and WT EGFR were assessed by using WT EGFR cell line A-431 (American...More data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
Shanghai Pharmaceuticals Holding
Curated by ChEMBL
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
