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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 188.1
BDBM50442701
Purchase
Wt: 259.2
BDBM50442702
Wt: 234.2
BDBM50442703
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Wt: 310.3
BDBM50442704
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Wt: 220.1
BDBM50442705
Wt: 309.3
BDBM50442708
Wt: 295.2
BDBM50442709
Wt: 261.2
BDBM50442710
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Wt: 309.3
BDBM50442711
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Wt: 275.2
BDBM50442712
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Wt: 310.3
BDBM50442713
Wt: 220.1
BDBM50442714
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Wt: 296.2
BDBM50442715
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Wt: 233.2
BDBM50442716
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Wt: 285.2
BDBM50442718
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Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

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

Found 20 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
Monocarboxylate transporter 4


(Homo sapiens)
BDBM50442711
PNG
(CHEMBL2442509)
Show SMILES CN(Cc1ccccc1)c1ccc2cc(C(O)=O)c(=O)oc2c1
Show InChI InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)
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n/an/a 10n/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 4


(Homo sapiens)
BDBM50442711
PNG
(CHEMBL2442509)
Show SMILES CN(Cc1ccccc1)c1ccc2cc(C(O)=O)c(=O)oc2c1
Show InChI InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)
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n/an/a 59n/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))
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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US Patent
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 4


(Homo sapiens)
BDBM50442710
PNG
(CHEMBL1303766)
Show SMILES CCN(CC)c1ccc2cc(C(O)=O)c(=O)oc2c1
Show InChI InChI=1S/C14H15NO4/c1-3-15(4-2)10-6-5-9-7-11(13(16)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3,(H,16,17)
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n/an/a 250n/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))
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 4


(Homo sapiens)
BDBM50442718
PNG
(CHEMBL2442512)
Show SMILES OC(=O)c1cc2cc3CCCN4CCCc(c34)c2oc1=O
Show InChI InChI=1S/C16H15NO4/c18-15(19)12-8-10-7-9-3-1-5-17-6-2-4-11(13(9)17)14(10)21-16(12)20/h7-8H,1-6H2,(H,18,19)
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n/an/a 730n/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 4


(Homo sapiens)
BDBM50442710
PNG
(CHEMBL1303766)
Show SMILES CCN(CC)c1ccc2cc(C(O)=O)c(=O)oc2c1
Show InChI InChI=1S/C14H15NO4/c1-3-15(4-2)10-6-5-9-7-11(13(16)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3,(H,16,17)
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n/an/a 860n/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 4


(Homo sapiens)
BDBM50442716
PNG
(CHEMBL2442510)
Show SMILES CN(C)c1ccc2cc(C(O)=O)c(=O)oc2c1
Show InChI InChI=1S/C12H11NO4/c1-13(2)8-4-3-7-5-9(11(14)15)12(16)17-10(7)6-8/h3-6H,1-2H3,(H,14,15)
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n/an/a 1.40E+3n/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 4


(Homo sapiens)
BDBM50442715
PNG
(CHEMBL2442513)
Show SMILES OC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
Show InChI InChI=1S/C17H12O5/c18-16(19)14-8-12-6-7-13(9-15(12)22-17(14)20)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)
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n/an/a 1.90E+3n/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 4


(Homo sapiens)
BDBM50442714
PNG
(CHEMBL1830821)
Show SMILES COc1ccc2cc(C(O)=O)c(=O)oc2c1
Show InChI InChI=1S/C11H8O5/c1-15-7-3-2-6-4-8(10(12)13)11(14)16-9(6)5-7/h2-5H,1H3,(H,12,13)
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n/an/a 2.30E+3n/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 4


(Homo sapiens)
BDBM50442713
PNG
(CHEMBL2442514)
Show SMILES OC(=O)c1cc2ccc(OCCc3ccccc3)cc2oc1=O
Show InChI InChI=1S/C18H14O5/c19-17(20)15-10-13-6-7-14(11-16(13)23-18(15)21)22-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,19,20)
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n/an/a 2.40E+3n/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 4


(Homo sapiens)
BDBM50442712
PNG
(CHEMBL2442508)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N1CCOCC1
Show InChI InChI=1S/C14H13NO5/c16-13(17)11-7-9-1-2-10(8-12(9)20-14(11)18)15-3-5-19-6-4-15/h1-2,7-8H,3-6H2,(H,16,17)
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n/an/a 7.90E+3n/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 4


(Homo sapiens)
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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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 4


(Homo sapiens)
BDBM50442703
PNG
(CHEMBL2442507)
Show SMILES COc1ccc2c(C)c(C(O)=O)c(=O)oc2c1
Show InChI InChI=1S/C12H10O5/c1-6-8-4-3-7(16-2)5-9(8)17-12(15)10(6)11(13)14/h3-5H,1-2H3,(H,13,14)
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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
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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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
Monocarboxylate transporter 4


(Homo sapiens)
BDBM50442709
PNG
(CHEMBL2442516)
Show SMILES OC(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]c1=O
Show InChI InChI=1S/C17H13NO4/c19-16-14(17(20)21)8-12-6-7-13(9-15(12)18-16)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)(H,20,21)
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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
Monocarboxylate transporter 4


(Homo sapiens)
BDBM50442708
PNG
(CHEMBL2442517)
Show SMILES Cn1c2cc(OCc3ccccc3)ccc2cc(C(O)=O)c1=O
Show InChI InChI=1S/C18H15NO4/c1-19-16-10-14(23-11-12-5-3-2-4-6-12)8-7-13(16)9-15(17(19)20)18(21)22/h2-10H,11H2,1H3,(H,21,22)
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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
Monocarboxylate transporter 4


(Homo sapiens)
BDBM50442705
PNG
(CHEMBL2442505)
Show SMILES Cc1c(C(O)=O)c(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C11H8O5/c1-5-7-3-2-6(12)4-8(7)16-11(15)9(5)10(13)14/h2-4,12H,1H3,(H,13,14)
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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
Monocarboxylate transporter 4


(Homo sapiens)
BDBM50442704
PNG
(CHEMBL2442506)
Show SMILES Cc1c(C(O)=O)c(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C18H14O5/c1-11-14-8-7-13(22-10-12-5-3-2-4-6-12)9-15(14)23-18(21)16(11)17(19)20/h2-9H,10H2,1H3,(H,19,20)
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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
Monocarboxylate transporter 4


(Homo sapiens)
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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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