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6 similar compounds to monomer 4340

Compile data set for download or QSAR
Wt: 214.2
BDBM4318
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Wt: 230.2
BDBM4320
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Wt: 200.1
BDBM4331
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Wt: 200.1
BDBM4332
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Wt: 202.1
BDBM4341
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Wt: 214.2
BDBM50036699

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 4318,4320,4331,4332,4341,50036699   
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))
BDBM4341
PNG
(2-[(3,4,5-trihydroxyphenyl)methylidene]propanedini...)
Show SMILES Oc1cc(C=C(C#N)C#N)cc(O)c1O
Show InChI InChI=1S/C10H6N2O3/c11-4-7(5-12)1-6-2-8(13)10(15)9(14)3-6/h1-3,13-15H
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PubMed
1.00E+3n/a 3.00E+3n/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 32: 2344-52 (1989)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q2G44NHF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4332
PNG
(2-[(4-hydroxy-3-methoxyphenyl)methylidene]propaned...)
Show SMILES COc1cc(C=C(C#N)C#N)ccc1O
Show InChI InChI=1S/C11H8N2O2/c1-15-11-5-8(2-3-10(11)14)4-9(6-12)7-13/h2-5,14H,1H3
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Article
PubMed
6.70E+4 -5.63 2.00E+5n/an/an/an/a7.622



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 32: 2344-52 (1989)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q2G44NHF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4320
PNG
(2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]prop...)
Show SMILES COc1cc(C=C(C#N)C#N)cc(OC)c1O
Show InChI InChI=1S/C12H10N2O3/c1-16-10-4-8(3-9(6-13)7-14)5-11(17-2)12(10)15/h3-5,15H,1-2H3
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PubMed
3.00E+5 -4.75 8.50E+5n/an/an/an/a7.622



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 32: 2344-52 (1989)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q2G44NHF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4318
PNG
(2-[(3,5-dimethoxyphenyl)methylidene]propanedinitri...)
Show SMILES COc1cc(OC)cc(C=C(C#N)C#N)c1
Show InChI InChI=1S/C12H10N2O2/c1-15-11-4-9(3-10(7-13)8-14)5-12(6-11)16-2/h3-6H,1-2H3
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PubMed
>4.00E+5>-4.59>1.25E+6n/an/an/an/a7.622



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 32: 2344-52 (1989)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q2G44NHF
More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM4341
PNG
(2-[(3,4,5-trihydroxyphenyl)methylidene]propanedini...)
Show SMILES Oc1cc(C=C(C#N)C#N)cc(O)c1O
Show InChI InChI=1S/C10H6N2O3/c11-4-7(5-12)1-6-2-8(13)10(15)9(14)3-6/h1-3,13-15H
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PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibition of autoinducer2-mediated quorum sensing after 3 to 4 hrs


Bioorg Med Chem Lett 18: 1567-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.081
BindingDB Entry DOI: 10.7270/Q2DB81KV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM4341
PNG
(2-[(3,4,5-trihydroxyphenyl)methylidene]propanedini...)
Show SMILES Oc1cc(C=C(C#N)C#N)cc(O)c1O
Show InChI InChI=1S/C10H6N2O3/c11-4-7(5-12)1-6-2-8(13)10(15)9(14)3-6/h1-3,13-15H
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PubMed
n/an/a>3.33E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay 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'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM4341
PNG
(2-[(3,4,5-trihydroxyphenyl)methylidene]propanedini...)
Show SMILES Oc1cc(C=C(C#N)C#N)cc(O)c1O
Show InChI InChI=1S/C10H6N2O3/c11-4-7(5-12)1-6-2-8(13)10(15)9(14)3-6/h1-3,13-15H
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory activity against protein tyrosine kinase


J Med Chem 36: 3556-64 (1994)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036699
PNG
(2-(4-Hydroxy-3-methoxy-5-methyl-benzylidene)-malon...)
Show SMILES COc1cc(C=C(C#N)C#N)cc(C)c1O
Show InChI InChI=1S/C12H10N2O2/c1-8-3-9(4-10(6-13)7-14)5-11(16-2)12(8)15/h3-5,15H,1-2H3
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Article
PubMed
n/an/a 8.71E+4n/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)


Article DOI: 10.1021/jm030065n
BindingDB Entry DOI: 10.7270/Q2N58NKR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036699
PNG
(2-(4-Hydroxy-3-methoxy-5-methyl-benzylidene)-malon...)
Show SMILES COc1cc(C=C(C#N)C#N)cc(C)c1O
Show InChI InChI=1S/C12H10N2O2/c1-8-3-9(4-10(6-13)7-14)5-11(16-2)12(8)15/h3-5,15H,1-2H3
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n/an/a 8.70E+4n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036699
PNG
(2-(4-Hydroxy-3-methoxy-5-methyl-benzylidene)-malon...)
Show SMILES COc1cc(C=C(C#N)C#N)cc(C)c1O
Show InChI InChI=1S/C12H10N2O2/c1-8-3-9(4-10(6-13)7-14)5-11(16-2)12(8)15/h3-5,15H,1-2H3
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Article
PubMed
n/an/a 1.12E+5n/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)


Article DOI: 10.1021/jm030065n
BindingDB Entry DOI: 10.7270/Q2N58NKR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036699
PNG
(2-(4-Hydroxy-3-methoxy-5-methyl-benzylidene)-malon...)
Show SMILES COc1cc(C=C(C#N)C#N)cc(C)c1O
Show InChI InChI=1S/C12H10N2O2/c1-8-3-9(4-10(6-13)7-14)5-11(16-2)12(8)15/h3-5,15H,1-2H3
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PubMed
n/an/a 2.60E+6n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by autophosphorylation


J Med Chem 36: 3556-64 (1994)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4331
PNG
(2-[(3-hydroxy-4-methoxyphenyl)methylidene]propaned...)
Show SMILES COc1ccc(C=C(C#N)C#N)cc1O
Show InChI InChI=1S/C11H8N2O2/c1-15-11-3-2-8(5-10(11)14)4-9(6-12)7-13/h2-5,14H,1H3
PDB
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Article
PubMed
n/an/a>2.50E+5n/an/an/an/a7.622



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 32: 2344-52 (1989)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q2G44NHF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (Human))
BDBM50036699
PNG
(2-(4-Hydroxy-3-methoxy-5-methyl-benzylidene)-malon...)
Show SMILES COc1cc(C=C(C#N)C#N)cc(C)c1O
Show InChI InChI=1S/C12H10N2O2/c1-8-3-9(4-10(6-13)7-14)5-11(16-2)12(8)15/h3-5,15H,1-2H3
PDB

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Article
PubMed
n/an/a 1.12E+5n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by autophosphorylation


J Med Chem 36: 3556-64 (1994)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair