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5 similar compounds to monomer 4350

Compile data set for download or QSAR
Wt: 173.1
BDBM4342
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Wt: 203.1
BDBM4343
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Wt: 187.1
BDBM4346
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Wt: 205.1
BDBM4352
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Wt: 188.1
BDBM50442701
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 4342,4343,4346,4352,50442701   
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))
BDBM4352
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoic a...)
Show SMILES OC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C10H7NO4/c11-5-7(10(14)15)3-6-1-2-8(12)9(13)4-6/h1-4,12-13H,(H,14,15)/b7-3+
PDB
MMDB

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Article
PubMed
2.50E+4n/a 7.00E+4n/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/jm00130a020
BindingDB Entry DOI: 10.7270/Q2G44NHF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4343
PNG
((2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid ...)
Show SMILES COc1ccc(\C=C(/C#N)C(O)=O)cc1
Show InChI InChI=1S/C11H9NO3/c1-15-10-4-2-8(3-5-10)6-9(7-12)11(13)14/h2-6H,1H3,(H,13,14)/b9-6+
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Article
PubMed
8.33E+5n/a 2.50E+6n/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/jm00130a020
BindingDB Entry DOI: 10.7270/Q2G44NHF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4342
PNG
((2E)-2-cyano-3-phenylprop-2-enoic acid | benzylide...)
Show SMILES OC(=O)C(=C\c1ccccc1)\C#N
Show InChI InChI=1S/C10H7NO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H,12,13)/b9-6+
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Article
PubMed
8.50E+5n/a>2.50E+6n/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/jm00130a020
BindingDB Entry DOI: 10.7270/Q2G44NHF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4352
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoic a...)
Show SMILES OC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C10H7NO4/c11-5-7(10(14)15)3-6-1-2-8(12)9(13)4-6/h1-4,12-13H,(H,14,15)/b7-3+
PDB
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PubMed
n/an/a 3n/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)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM4352
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoic a...)
Show SMILES OC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C10H7NO4/c11-5-7(10(14)15)3-6-1-2-8(12)9(13)4-6/h1-4,12-13H,(H,14,15)/b7-3+
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Article
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
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442701
PNG
(CHEMBL2074836)
Show SMILES Oc1ccc(\C=C(/C#N)C([O-])=O)cc1
Show InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/p-1/b8-5+
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.07E+4n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM4346
PNG
((2E)-2-cyano-3-(4-methylphenyl)prop-2-enoic acid |...)
Show SMILES Cc1ccc(\C=C(/C#N)C(O)=O)cc1
Show InChI InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)6-10(7-12)11(13)14/h2-6H,1H3,(H,13,14)/b10-6+
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Medical School Duluth

Curated by ChEMBL


Assay Description
Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay


ACS Med Chem Lett 6: 558-61 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00049
BindingDB Entry DOI: 10.7270/Q2ZC84MV
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442701
PNG
(CHEMBL2074836)
Show SMILES Oc1ccc(\C=C(/C#N)C([O-])=O)cc1
Show InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/p-1/b8-5+
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CHEMBL
PC cid
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UniChem

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Article
PubMed
n/an/a 4.35E+4n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4346
PNG
((2E)-2-cyano-3-(4-methylphenyl)prop-2-enoic acid |...)
Show SMILES Cc1ccc(\C=C(/C#N)C(O)=O)cc1
Show InChI InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)6-10(7-12)11(13)14/h2-6H,1H3,(H,13,14)/b10-6+
PDB
MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.35E+6n/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/jm00130a020
BindingDB Entry DOI: 10.7270/Q2G44NHF
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM4343
PNG
((2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid ...)
Show SMILES COc1ccc(\C=C(/C#N)C(O)=O)cc1
Show InChI InChI=1S/C11H9NO3/c1-15-10-4-2-8(3-5-10)6-9(7-12)11(13)14/h2-6H,1H3,(H,13,14)/b9-6+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Medical School Duluth

Curated by ChEMBL


Assay Description
Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay


ACS Med Chem Lett 6: 558-61 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00049
BindingDB Entry DOI: 10.7270/Q2ZC84MV
More data for this
Ligand-Target Pair