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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 203.1
BDBM4343
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Wt: 191.1
BDBM4344
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Wt: 216.2
BDBM4345
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Wt: 187.1
BDBM4346
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Wt: 218.1
BDBM4347
Wt: 189.1
BDBM4350
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Wt: 259.2
BDBM50442702
Wt: 252.0
BDBM50092062
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Wt: 207.6
BDBM50092063
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Wt: 217.1
BDBM50092060
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Wt: 201.2
BDBM50092064
Wt: 256.2
BDBM50092074
Wt: 242.2
BDBM50092075
Wt: 244.2
BDBM50092059
Wt: 198.1
BDBM50092061
Displayed 1 to 15 (of 46 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 30 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4350
PNG
((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid ...)
Show SMILES OC(=O)C(=C\c1ccc(O)cc1)\C#N
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)/b8-5+
PDB
MMDB

KEGG

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1.65E+5n/a 3.08E+5n/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))
BDBM4344
PNG
((2E)-2-cyano-3-(4-fluorophenyl)prop-2-enoic acid |...)
Show SMILES OC(=O)C(=C\c1ccc(F)cc1)\C#N
Show InChI InChI=1S/C10H6FNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+
PDB
MMDB

KEGG

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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))
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+
PDB
MMDB

KEGG

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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))
BDBM4350
PNG
((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid ...)
Show SMILES OC(=O)C(=C\c1ccc(O)cc1)\C#N
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)/b8-5+
PDB
MMDB

KEGG

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n/an/a 2n/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
Monocarboxylate transporter 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM50092075
PNG
(CHEMBL3582416 | US9296728, 11)
Show SMILES OC(=O)C(=C\c1ccc(cc1)N1CCCC1)\C#N
Show InChI InChI=1S/C14H14N2O2/c15-10-12(14(17)18)9-11-3-5-13(6-4-11)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2,(H,17,18)/b12-9+
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n/an/a 64n/an/an/an/a7.4337



Regents of the University of Minnesota

US Patent


Assay Description
The entire lactate uptake studies for the inhibition of MCT1 were carried out on RBE4 (Rat Brain Endothelial 4) cells. The expression of MCT1 on thes...


US Patent US9296728 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M5R
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM50092059
PNG
(CHEMBL3582407)
Show SMILES CCN(CC)c1ccc(\C=C(/C#N)C(O)=O)cc1
Show InChI InChI=1S/C16H12ClN3O4/c1-8(21)13-5-10-9(3-4-12(23-2)14(10)24-13)16(22)20-15-11(17)6-18-7-19-15/h3-7H,1-2H3,(H,18,19,20,22)
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n/an/a 70n/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 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM50092075
PNG
(CHEMBL3582416 | US9296728, 11)
Show SMILES OC(=O)C(=C\c1ccc(cc1)N1CCCC1)\C#N
Show InChI InChI=1S/C14H14N2O2/c15-10-12(14(17)18)9-11-3-5-13(6-4-11)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2,(H,17,18)/b12-9+
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n/an/a 70n/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 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM50092074
PNG
(CHEMBL3582417 | US9296728, 12)
Show SMILES OC(=O)C(=C\c1ccc(cc1)N1CCCCC1)\C#N
Show InChI InChI=1S/C15H16N2O2/c16-11-13(15(18)19)10-12-4-6-14(7-5-12)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2,(H,18,19)/b13-10+
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n/an/a 110n/an/an/an/a7.4337



Regents of the University of Minnesota

US Patent


Assay Description
The entire lactate uptake studies for the inhibition of MCT1 were carried out on RBE4 (Rat Brain Endothelial 4) cells. The expression of MCT1 on thes...


US Patent US9296728 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M5R
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM50092074
PNG
(CHEMBL3582417 | US9296728, 12)
Show SMILES OC(=O)C(=C\c1ccc(cc1)N1CCCCC1)\C#N
Show InChI InChI=1S/C15H16N2O2/c16-11-13(15(18)19)10-12-4-6-14(7-5-12)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2,(H,18,19)/b13-10+
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n/an/a 140n/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 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM4345
PNG
((2E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-eno...)
Show SMILES CN(C)c1ccc(\C=C(/C#N)C(O)=O)cc1
Show InChI InChI=1S/C12H12N2O2/c1-14(2)11-5-3-9(4-6-11)7-10(8-13)12(15)16/h3-7H,1-2H3,(H,15,16)/b10-7+
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n/an/a 140n/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 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM50442702
PNG
(CHEMBL2442511 | US9296728, 26)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N1CCCC1
Show InChI InChI=1S/C14H13NO4/c16-13(17)11-7-9-3-4-10(15-5-1-2-6-15)8-12(9)19-14(11)18/h3-4,7-8H,1-2,5-6H2,(H,16,17)
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n/an/a 220n/an/an/an/a7.4337



Regents of the University of Minnesota

US Patent


Assay Description
The entire lactate uptake studies for the inhibition of MCT1 were carried out on RBE4 (Rat Brain Endothelial 4) cells. The expression of MCT1 on thes...


US Patent US9296728 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M5R
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM50442702
PNG
(CHEMBL2442511 | US9296728, 26)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N1CCCC1
Show InChI InChI=1S/C14H13NO4/c16-13(17)11-7-9-3-4-10(15-5-1-2-6-15)8-12(9)19-14(11)18/h3-4,7-8H,1-2,5-6H2,(H,16,17)
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n/an/a 380n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of MCT1 in rat brain endothelial 4 cells assessed as L-[14C]-Lactate Uptake after 15 mins by scintillation spectrometric analysis


Bioorg Med Chem Lett 26: 3282-3286 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.054
BindingDB Entry DOI: 10.7270/Q2BP04QP
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+
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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 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+
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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 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM50092064
PNG
(CHEMBL3582402)
Show SMILES CCc1ccc(\C=C(/C#N)C(O)=O)cc1
Show InChI InChI=1S/C19H12Cl2N2O4/c1-9(24)16-7-12-11(3-4-15(26-2)18(12)27-16)19(25)23-17-13(20)5-10(8-22)6-14(17)21/h3-7H,1-2H3,(H,23,25)
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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 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM4344
PNG
((2E)-2-cyano-3-(4-fluorophenyl)prop-2-enoic acid |...)
Show SMILES OC(=O)C(=C\c1ccc(F)cc1)\C#N
Show InChI InChI=1S/C10H6FNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+
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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 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM50092063
PNG
(CHEMBL3582403)
Show SMILES OC(=O)C(=C\c1ccc(Cl)cc1)\C#N
Show InChI InChI=1S/C10H6ClNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+
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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 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM50092062
PNG
(CHEMBL3582404)
Show SMILES OC(=O)C(=C\c1ccc(Br)cc1)\C#N
Show InChI InChI=1S/C16H9Cl2N3O3/c1-23-13-3-2-9(10-4-8(5-19)24-15(10)13)16(22)21-14-11(17)6-20-7-12(14)18/h2-4,6-7H,1H3,(H,20,21,22)
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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 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM50092061
PNG
(CHEMBL3582405)
Show SMILES OC(=O)C(=C\c1ccc(cc1)C#N)\C#N
Show InChI InChI=1S/C21H13Cl2N3O4/c1-29-16-3-2-12(21(28)26-18-14(22)9-25-10-15(18)23)13-8-17(30-20(13)16)19(27)11-4-6-24-7-5-11/h2-10H,1H3,(H,25,26,28)
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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 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM4347
PNG
((2E)-2-cyano-3-(4-nitrophenyl)prop-2-enoic acid | ...)
Show SMILES OC(=O)C(=C\c1ccc(cc1)[N+]([O-])=O)\C#N
Show InChI InChI=1S/C10H6N2O4/c11-6-8(10(13)14)5-7-1-3-9(4-2-7)12(15)16/h1-5H,(H,13,14)/b8-5+
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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 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM50092060
PNG
(CHEMBL3582406)
Show SMILES OC(=O)C(=C\c1ccc2OCOc2c1)\C#N
Show InChI InChI=1S/C18H14Cl2N2O4/c1-8-14-10(18(24)22-15-11(19)6-21-7-12(15)20)4-5-13(25-3)17(14)26-16(8)9(2)23/h4-7H,1-3H3,(H,21,22,24)
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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 2


(Rattus norvegicus)
BDBM4350
PNG
((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid ...)
Show SMILES OC(=O)C(=C\c1ccc(O)cc1)\C#N
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)/b8-5+
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n/an/a 2.40E+4n/an/an/an/an/an/a



Physiologisch-chemisches Institut der Eberhard-Karls-Universit£t T£bingen

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes


Biochem J 341: 529-35 (1999)


Article DOI: 10.1042/0264-6021:3410529
BindingDB Entry DOI: 10.7270/Q2125TQV
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens)
BDBM50442702
PNG
(CHEMBL2442511 | US9296728, 26)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N1CCCC1
Show InChI InChI=1S/C14H13NO4/c16-13(17)11-7-9-3-4-10(15-5-1-2-6-15)8-12(9)19-14(11)18/h3-4,7-8H,1-2,5-6H2,(H,16,17)
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PubMed
n/an/a>3.00E+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
G-protein coupled receptor 35


(Homo sapiens)
BDBM4350
PNG
((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid ...)
Show SMILES OC(=O)C(=C\c1ccc(O)cc1)\C#N
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)/b8-5+
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n/an/a 3.04E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM4350
PNG
((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid ...)
Show SMILES OC(=O)C(=C\c1ccc(O)cc1)\C#N
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)/b8-5+
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n/an/a 4.25E+5n/an/an/an/an/an/a



Physiologisch-chemisches Institut der Eberhard-Karls-Universit£t T£bingen

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes


Biochem J 341: 529-35 (1999)


Article DOI: 10.1042/0264-6021:3410529
BindingDB Entry DOI: 10.7270/Q2125TQV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4347
PNG
((2E)-2-cyano-3-(4-nitrophenyl)prop-2-enoic acid | ...)
Show SMILES OC(=O)C(=C\c1ccc(cc1)[N+]([O-])=O)\C#N
Show InChI InChI=1S/C10H6N2O4/c11-6-8(10(13)14)5-7-1-3-9(4-2-7)12(15)16/h1-5H,(H,13,14)/b8-5+
PDB
MMDB

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n/an/a 1.30E+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))
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+
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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
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4345
PNG
((2E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-eno...)
Show SMILES CN(C)c1ccc(\C=C(/C#N)C(O)=O)cc1
Show InChI InChI=1S/C12H12N2O2/c1-14(2)11-5-3-9(4-6-11)7-10(8-13)12(15)16/h3-7H,1-2H3,(H,15,16)/b10-7+
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n/an/a 1.40E+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
G-protein coupled receptor 35


(Homo sapiens)
BDBM4350
PNG
((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid ...)
Show SMILES OC(=O)C(=C\c1ccc(O)cc1)\C#N
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)/b8-5+
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PubMed
n/an/an/an/a 7.07E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 receptor in human U2OS cells coexpressing Gal4-VP16-TEV assessed as beta arrestin translocation after 5 hrs by beta lactmas...


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM4350
PNG
((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid ...)
Show SMILES OC(=O)C(=C\c1ccc(O)cc1)\C#N
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)/b8-5+
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n/an/an/an/a 9.80E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 receptor in human HT-29 cells after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair