null

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

InChI Key InChIKey=WVUNYSQLFKLYNI-AATRIKPKSA-N

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 31090   

TargetSerine/threonine-protein kinase Nek2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 661nMAssay Description:Inhibition of Nek2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GB25NRPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 39nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GB25NRPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 39nMAssay Description:Inhibition of epidermal growth factor receptor kinase (unknown origin) using [33P]-ATP after 20 to 30 mins by radiometric assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JQ12TSPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 8.02nMAssay Description:Inhibition of EGFR autophosphorylation in human A431 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25H7GG2PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 0.240nMAssay Description:Inhibition of EGFRMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25H7GG2PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 97.6nMAssay Description:Inhibition of epidermal growth factor receptor kinase autophosphorylationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G161DCPubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 1.23E+3nMAssay Description:Inhibition of human epidermal growth factor receptor-2 autophosphorylationMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23J3DHWPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 83nMAssay Description:Inhibition of Epidermal Growth Factor Receptor (EGFR) autophosphorylationMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23J3DHWPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 80nMAssay Description:Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21Z4505PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 80nMAssay Description:Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PV6M3HPubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 1.23E+3nMAssay Description:Concentration required to inhibit autophosphorylation of cytoplasmic domain of human epidermal growth factor receptor-2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PV6M3HPubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 1.23E+3nMAssay Description:Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP03KGPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 80nMAssay Description:Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP03KGPubMed
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 3.13E+3nMAssay Description:Inhibition of human VEGFR2 in presence of 1 uM ATPMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VB8PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 0.600nMAssay Description:Inhibition of human EGFR in presence of 1 uM ATPMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VB8PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 34.9nMAssay Description:Inhibition of human EGFR in presence of 1 mM ATPMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VB8PubMed
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human VEGFR2 in presence of 1 mM ATPMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VB8PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 79.4nMAssay Description:Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DJ5GXNPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 39nMAssay Description:Inhibition of human EGFRMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2862HBMPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 98nMAssay Description:Inhibition of epidermal growth factor receptor kinase autophosphorylationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G161DCPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 8.00E+4nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NZ8BJH
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 39nMAssay Description:Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RJ4NVJPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 39nMAssay Description:Inhibition of recombinant human His6-tagged EGFR cytoplasmic domain (645 to 1186 residues) expressed in baculovirus infected Sf9 insect cells assesse...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28W3HK1PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 1.23E+3nMAssay Description:Irreversible inhibition of HER2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HD800FPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM31090((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)copy SMILEScopy InChI
Affinity DataIC50: 80nMAssay Description:Irreversible inhibition of wild type EGFR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HD800FPubMed