null

SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2Cl)c1O

InChI Key InChIKey=SOENYCXOSGATJG-MKMNVTDBSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50036698   

TargetEpidermal growth factor receptor(Homo sapiens (Human))
Hebrew University of Jerusalem

Curated by ChEMBL
LigandPNGBDBM50036698((E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy...)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibitiory concentration against EGF receptor by polyGAT phosphorylationMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MP52B9PubMed
TargetEpidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Hebrew University of Jerusalem

Curated by ChEMBL
LigandPNGBDBM50036698((E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy...)copy SMILEScopy InChI
Affinity DataIC50: 250nMAssay Description:Inhibitiory concentration against EGF receptor by polyGAT phosphorylationMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MP52B9PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Hebrew University of Jerusalem

Curated by ChEMBL
LigandPNGBDBM50036698((E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferationMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MP52B9PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Hebrew University of Jerusalem

Curated by ChEMBL
LigandPNGBDBM50036698((E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory activity against epidermal growth factor receptor (EGFR)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N58NKRPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Hebrew University of Jerusalem

Curated by ChEMBL
LigandPNGBDBM50036698((E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy...)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibitiory concentration against EGF receptor by autophosphorylationMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MP52B9PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
University of Tennessee Health Sciences Center

Curated by ChEMBL
LigandPNGBDBM50036698((E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy...)copy SMILEScopy InChI
Affinity DataIC50: 251nMAssay Description:Inhibitory activity tested against protein kinase HER-2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N58NKRPubMed