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BDBM4306 (2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2-phenylethyl)prop-2-enamide::CHEMBL293749::Tyrphostin deriv. 52

SMILES: Oc1ccc(\C=C(/C#N)C(=O)NCCc2ccccc2)cc1O

InChI Key: InChIKey=ZZQHNBGRWRQWFI-XNTDXEJSSA-N

Data: 8 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 4306   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4306
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2-phenylet...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCc2ccccc2)cc1O
Show InChI InChI=1S/C18H16N2O3/c19-12-15(10-14-6-7-16(21)17(22)11-14)18(23)20-9-8-13-4-2-1-3-5-13/h1-7,10-11,21-22H,8-9H2,(H,20,23)/b15-10+
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MMDB

KEGG

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PubMed
n/an/a 930n/an/an/an/an/an/a



Hebrew University of Jerusalem



Assay 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.


J Med Chem 34: 1896-907 (1991)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM4306
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2-phenylet...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCc2ccccc2)cc1O
Show InChI InChI=1S/C18H16N2O3/c19-12-15(10-14-6-7-16(21)17(22)11-14)18(23)20-9-8-13-4-2-1-3-5-13/h1-7,10-11,21-22H,8-9H2,(H,20,23)/b15-10+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2C.


J Med Chem 42: 3412-20 (1999)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM4306
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2-phenylet...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCc2ccccc2)cc1O
Show InChI InChI=1S/C18H16N2O3/c19-12-15(10-14-6-7-16(21)17(22)11-14)18(23)20-9-8-13-4-2-1-3-5-13/h1-7,10-11,21-22H,8-9H2,(H,20,23)/b15-10+
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2B.


J Med Chem 42: 3412-20 (1999)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM4306
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2-phenylet...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCc2ccccc2)cc1O
Show InChI InChI=1S/C18H16N2O3/c19-12-15(10-14-6-7-16(21)17(22)11-14)18(23)20-9-8-13-4-2-1-3-5-13/h1-7,10-11,21-22H,8-9H2,(H,20,23)/b15-10+
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n/an/a 2.29E+4n/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibitory activity tested against protein kinase HER-2


J Med Chem 46: 4657-68 (2003)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM4306
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2-phenylet...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCc2ccccc2)cc1O
Show InChI InChI=1S/C18H16N2O3/c19-12-15(10-14-6-7-16(21)17(22)11-14)18(23)20-9-8-13-4-2-1-3-5-13/h1-7,10-11,21-22H,8-9H2,(H,20,23)/b15-10+
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2A.


J Med Chem 42: 3412-20 (1999)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4306
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2-phenylet...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCc2ccccc2)cc1O
Show InChI InChI=1S/C18H16N2O3/c19-12-15(10-14-6-7-16(21)17(22)11-14)18(23)20-9-8-13-4-2-1-3-5-13/h1-7,10-11,21-22H,8-9H2,(H,20,23)/b15-10+
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4306
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2-phenylet...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCc2ccccc2)cc1O
Show InChI InChI=1S/C18H16N2O3/c19-12-15(10-14-6-7-16(21)17(22)11-14)18(23)20-9-8-13-4-2-1-3-5-13/h1-7,10-11,21-22H,8-9H2,(H,20,23)/b15-10+
PDB
MMDB

KEGG

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PubMed
n/an/a 617n/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibitory activity against epidermal growth factor receptor (EGFR)


J Med Chem 46: 4657-68 (2003)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM4306
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2-phenylet...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCc2ccccc2)cc1O
Show InChI InChI=1S/C18H16N2O3/c19-12-15(10-14-6-7-16(21)17(22)11-14)18(23)20-9-8-13-4-2-1-3-5-13/h1-7,10-11,21-22H,8-9H2,(H,20,23)/b15-10+
PDB
MMDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
Inhibition of ERBB2 receptor autophosphorylation


J Med Chem 42: 3412-20 (1999)

More data for this
Ligand-Target Pair