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SMILES Oc1ccc(\C=C(/C#N)C(=O)NCc2ccccc2)cc1O

InChI Key InChIKey=TUCIOBMMDDOEMM-RIYZIHGNSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 4313   

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

LigandPNGBDBM4313((2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+3nMAssay Description:The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KW5D7VPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Hebrew University of Jerusalem

LigandPNGBDBM4313((2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-...)copy SMILEScopy InChI
Affinity DataIC50: 501nMAssay 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
TargetGlutamate receptor ionotropic, NMDA 1/2C(RAT)
University of Oregon

Curated by ChEMBL
LigandPNGBDBM4313((2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2C.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RR1XFDPubMed
TargetGlutamate receptor ionotropic, NMDA 1/2A(Rattus norvegicus (Rat))
University of Oregon

Curated by ChEMBL
LigandPNGBDBM4313((2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-...)copy SMILEScopy InChI
Affinity DataIC50: 1.90E+4nMAssay Description:Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2A.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RR1XFDPubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
University of Oregon

Curated by ChEMBL
LigandPNGBDBM4313((2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-...)copy SMILEScopy InChI
Affinity DataIC50: 1.35E+4nMAssay Description:Inhibition of ERBB2 receptor autophosphorylationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RR1XFDPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Hebrew University of Jerusalem

LigandPNGBDBM4313((2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay Description:Inhibition of Epidermal growth factor receptor autophosphorylationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RR1XFDPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Hebrew University of Jerusalem

LigandPNGBDBM4313((2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of EGFR in human A431 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J966CCPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Hebrew University of Jerusalem

LigandPNGBDBM4313((2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-...)copy SMILEScopy InChI
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of EGF-dependent proliferation of human and guinea pig keratinocytes; range 7-15 uMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2NP2541PubMed
TargetTyrosyl-DNA phosphodiesterase 1(Homo sapiens (Human))
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM4313((2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-...)copy SMILEScopy InChI
Affinity DataIC50: 3.33E+5nMAssay Description:Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MP54D1PubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM4313((2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-...)copy SMILEScopy InChI
Affinity DataIC50: 1.26E+4nMAssay Description:In vitro inhibition of Janus kinase 3.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q24T6KNZPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Hebrew University of Jerusalem

LigandPNGBDBM4313((2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay Description:Inhibition of EGFR autophosphorylationChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DB82RHPubMed
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Global Researchand Development

Curated by ChEMBL
LigandPNGBDBM4313((2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of JAK2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22Z16FKPubMed
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Global Researchand Development

Curated by ChEMBL
LigandPNGBDBM4313((2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-...)copy SMILEScopy InChI
Affinity DataIC50: 3.38E+3nMAssay Description:Inhibition of JAK1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22Z16FKPubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
University of Oregon

Curated by ChEMBL
LigandPNGBDBM4313((2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-...)copy SMILEScopy InChI
Affinity DataIC50: 1.35E+4nMAssay Description:Inhibitory activity tested against protein kinase HER-2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N58NKRPubMed
TargetGlutamate receptor ionotropic, NMDA 1/2B(Rattus norvegicus (Rat))
University of Oregon

Curated by ChEMBL
LigandPNGBDBM4313((2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-...)copy SMILEScopy InChI
Affinity DataIC50: 4.50E+4nMAssay Description:Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2B.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RR1XFDPubMed