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Compile Data Set for Download or QSAR

Found 586 hits of ic50 for UniProtKB: P53985   
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
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM50092069
PNG
(CHEMBL3582422 | US9296728, 20)
Show SMILES COc1cc(ccc1\C=C(/C#N)C(O)=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)15-7-11-10(3-4-14(23-2)16(11)24-15)17(22)20-13-5-6-19-8-12(13)18/h3-8H,1-2H3,(H,19,20,22)
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n/an/a 8n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM50092072
PNG
(CHEMBL3582419 | US9296728, 14)
Show SMILES CCCCN(CCCC)c1ccc(\C=C(/C#N)C(O)=O)c(OC)c1
Show InChI InChI=1S/C18H16N2O4/c1-10-5-4-8-19-17(10)20-18(22)12-6-7-14(23-3)16-13(12)9-15(24-16)11(2)21/h4-9H,1-3H3,(H,19,20,22)
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n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM50092071
PNG
(CHEMBL3582420 | US9296728, 18)
Show SMILES COc1cc(ccc1\C=C(/C#N)C(O)=O)N(CC(C)C)CC(C)C
Show InChI InChI=1S/C16H10Cl2N2O5/c1-24-11-3-2-7(8-4-12(16(22)23)25-14(8)11)15(21)20-13-9(17)5-19-6-10(13)18/h2-6H,1H3,(H,22,23)(H,19,20,21)
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n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM50608633
PNG
(CHEMBL3582501)
Show SMILES COc1cc(ccc1\C=C(/C#N)C(O)=O)N1CCCCC1
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n/an/a 25n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM50092070
PNG
(CHEMBL3582421 | US9296728, 15)
Show SMILES CCCCCN(CCCCC)c1ccc(\C=C(/C#N)C(O)=O)c(OC)c1
Show InChI InChI=1S/C18H14Cl2N2O4/c1-9(23)15-6-11-10(4-5-14(25-3)17(11)26-15)18(24)22(2)16-12(19)7-21-8-13(16)20/h4-8H,1-3H3
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n/an/a 34n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM214697
PNG
(US9296728, 19)
Show SMILES COc1cc(ccc1\C=C(/C#N)C(O)=O)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C25H22N2O3/c1-30-24-15-23(13-12-21(24)14-22(16-26)25(28)29)27(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-15H,17-18H2,1H3,(H,28,29)/b22-14+
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n/an/a 37n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM214698
PNG
(US9296728, 21)
Show SMILES COc1cc(ccc1\C=C(/C#N)C(O)=O)N1CCCC1
Show InChI InChI=1S/C15H16N2O3/c1-20-14-9-13(17-6-2-3-7-17)5-4-11(14)8-12(10-16)15(18)19/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19)/b12-8+
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345287
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-[3- (cyclopropyl...)
Show SMILES CC(C)(OCc1cc(-c2cccc(OCC3CC3)c2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C25H27ClN2O4/c1-25(2,24(29)30)32-16-20-13-23(28(27-20)14-19-6-3-4-9-22(19)26)18-7-5-8-21(12-18)31-15-17-10-11-17/h3-9,12-13,17H,10-11,14-16H2,1-2H3,(H,29,30)
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n/an/a 54.5n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM356766
PNG
(US10214492, Example 130)
Show SMILES CC(C)(OCc1cc(-c2cc(OC3CC3)cs2)n(Cc2ccccc2Cl)c1)C(O)=O
Show InChI InChI=1S/C23H24ClNO4S/c1-23(2,22(26)27)28-13-15-9-20(21-10-18(14-30-21)29-17-7-8-17)25(11-15)12-16-5-3-4-6-19(16)24/h3-6,9-11,14,17H,7-8,12-13H2,1-2H3,(H,26,27)
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n/an/a 55n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM546629
PNG
(2-([1-[(2-Chlorophenyl)methyl]-5-(4- cyclopropoxyt...)
Show SMILES CC(C)(OCc1cc(-c2cc(OC3CC3)cs2)n(Cc2ccccc2Cl)n1)C(O)=O
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TBA

Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345271
PNG
(1-[[5-(4-Chlorophenyl)-1-[(2- chlorophenyl)methyl...)
Show SMILES OC(=O)C1(CC1)OCc1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2Cl)n1
Show InChI InChI=1S/C21H18Cl2N2O3/c22-16-7-5-14(6-8-16)19-11-17(13-28-21(9-10-21)20(26)27)24-25(19)12-15-3-1-2-4-18(15)23/h1-8,11H,9-10,12-13H2,(H,26,27)
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n/an/a 100n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345295
PNG
(1-[[1-[(2-Chlorophenyl)methyl]-5-(3- methoxypheny...)
Show SMILES COc1cccc(c1)-c1cc(COC2(CCC2)C(O)=O)nn1Cc1ccccc1Cl
Show InChI InChI=1S/C23H23ClN2O4/c1-29-19-8-4-7-16(12-19)21-13-18(15-30-23(22(27)28)10-5-11-23)25-26(21)14-17-6-2-3-9-20(17)24/h2-4,6-9,12-13H,5,10-11,14-15H2,1H3,(H,27,28)
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n/an/a 100n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM356858
PNG
(US10214492, Example 207 | US11292767, Example 207)
Show SMILES CCOc1ccccc1Cn1nc(COC(C)(C)C(O)=O)cc1-c1ccc2cnn(C)c2c1
Show InChI InChI=1S/C25H28N4O4/c1-5-32-23-9-7-6-8-19(23)15-29-22(13-20(27-29)16-33-25(2,3)24(30)31)17-10-11-18-14-26-28(4)21(18)12-17/h6-14H,5,15-16H2,1-4H3,(H,30,31)
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n/an/a 102n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM356738
PNG
(US10214492, Example 108 | US11292767, Example 108)
Show SMILES CC(C)COc1cccc(c1)-c1cc(COC(C)(C)C(O)=O)nn1Cc1cccc(c1)N(C)C
Show InChI InChI=1S/C27H35N3O4/c1-19(2)17-33-24-12-8-10-21(14-24)25-15-22(18-34-27(3,4)26(31)32)28-30(25)16-20-9-7-11-23(13-20)29(5)6/h7-15,19H,16-18H2,1-6H3,(H,31,32)
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n/an/a 102n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM356768
PNG
(US10214492, Example 132 | US11292767, Example 132)
Show SMILES CC(C)COc1ncc(s1)-c1cc(COC(C)(C)C(O)=O)nn1Cc1ccccc1Cl
Show InChI InChI=1S/C22H26ClN3O4S/c1-14(2)12-29-21-24-10-19(31-21)18-9-16(13-30-22(3,4)20(27)28)25-26(18)11-15-7-5-6-8-17(15)23/h5-10,14H,11-13H2,1-4H3,(H,27,28)
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n/an/a 104n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM22000
PNG
(7-[(3-hydroxypropyl)sulfanyl]-2-methyl-4-(2-methyl...)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc12
Show InChI InChI=1S/C25H29N3O2S/c1-17(2)14-22-21-16-28(15-19-10-6-9-18-8-4-5-11-20(18)19)25(31-13-7-12-29)23(21)24(30)27(3)26-22/h4-6,8-11,16-17,29H,7,12-15H2,1-3H3
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n/an/a 105n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...


J Med Chem 57: 7317-24 (2014)


Article DOI: 10.1021/jm500640x
BindingDB Entry DOI: 10.7270/Q2F76F6D
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM50055506
PNG
(CHEMBL3326270)
Show SMILES CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(\C=C/CCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C27H30N4O3/c1-18(2)17-31-25-24(26(33)30(3)27(31)34)28-22(14-5-4-8-15-32)23(29-25)16-20-12-9-11-19-10-6-7-13-21(19)20/h5-7,9-14,18,32H,4,8,15-17H2,1-3H3/b14-5-
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n/an/a 116n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...


J Med Chem 57: 7317-24 (2014)


Article DOI: 10.1021/jm500640x
BindingDB Entry DOI: 10.7270/Q2F76F6D
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM356781
PNG
(US10214492, Example 143 | US11292767, Example 143)
Show SMILES COc1cccc(c1)-c1cc(\C=C\C(C)(C)C(O)=O)nn1Cc1ccccc1Cl
Show InChI InChI=1S/C23H23ClN2O3/c1-23(2,22(27)28)12-11-18-14-21(16-8-6-9-19(13-16)29-3)26(25-18)15-17-7-4-5-10-20(17)24/h4-14H,15H2,1-3H3,(H,27,28)/b12-11+
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n/an/a 152n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM356904
PNG
(US10214492, Example 255 | US11292767, Example 255)
Show SMILES Cc1nn(C)c2c(cccc12)-n1nc(COC(C)(C)C(O)=O)cc1-c1cccc(OCC(C)(C)C)c1
Show InChI InChI=1S/C28H34N4O4/c1-18-22-12-9-13-23(25(22)31(7)29-18)32-24(15-20(30-32)16-36-28(5,6)26(33)34)19-10-8-11-21(14-19)35-17-27(2,3)4/h8-15H,16-17H2,1-7H3,(H,33,34)
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n/an/a 154n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM356861
PNG
(US10214492, Example 210 | US11292767, Example 210)
Show SMILES CCOc1ccccc1Cn1nc(COC(C)(C)C(O)=O)cc1-c1cccc(OC2CCC2)c1
Show InChI InChI=1S/C27H32N2O5/c1-4-32-25-14-6-5-9-20(25)17-29-24(16-21(28-29)18-33-27(2,3)26(30)31)19-10-7-13-23(15-19)34-22-11-8-12-22/h5-7,9-10,13-16,22H,4,8,11-12,17-18H2,1-3H3,(H,30,31)
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n/an/a 154n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM50055505
PNG
(CHEMBL3326265)
Show SMILES CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C27H32N4O3/c1-18(2)17-31-25-24(26(33)30(3)27(31)34)28-22(14-5-4-8-15-32)23(29-25)16-20-12-9-11-19-10-6-7-13-21(19)20/h6-7,9-13,18,32H,4-5,8,14-17H2,1-3H3
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n/an/a 192n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...


J Med Chem 57: 7317-24 (2014)


Article DOI: 10.1021/jm500640x
BindingDB Entry DOI: 10.7270/Q2F76F6D
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM356782
PNG
(US10214492, Example 144 | US11292767, Example 144)
Show SMILES COc1cccc(c1)-c1cc(CCC(C)(C)C(O)=O)nn1Cc1ccccc1Cl
Show InChI InChI=1S/C23H25ClN2O3/c1-23(2,22(27)28)12-11-18-14-21(16-8-6-9-19(13-16)29-3)26(25-18)15-17-7-4-5-10-20(17)24/h4-10,13-14H,11-12,15H2,1-3H3,(H,27,28)
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n/an/a 201n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345291
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-[3- (cyclobutoxy...)
Show SMILES CC(C)(OCc1cc(-c2cccc(OC3CCC3)c2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C25H27ClN2O4/c1-25(2,24(29)30)31-16-19-14-23(28(27-19)15-18-7-3-4-12-22(18)26)17-8-5-11-21(13-17)32-20-9-6-10-20/h3-5,7-8,11-14,20H,6,9-10,15-16H2,1-2H3,(H,29,30)
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Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345298
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-[3- (cyclopentyl...)
Show SMILES CC(C)(OCc1cc(-c2cccc(OCC3CCCC3)c2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C27H31ClN2O4/c1-27(2,26(31)32)34-18-22-15-25(30(29-22)16-21-10-5-6-13-24(21)28)20-11-7-12-23(14-20)33-17-19-8-3-4-9-19/h5-7,10-15,19H,3-4,8-9,16-18H2,1-2H3,(H,31,32)
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Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM356771
PNG
(US10214492, Example 135 | US11292767, Example 135)
Show SMILES COc1cccc(OC)c1Cn1nc(COC(C)(C)C(O)=O)cc1-c1cccc(OCC(C)C)c1
Show InChI InChI=1S/C27H34N2O6/c1-18(2)16-34-21-10-7-9-19(13-21)23-14-20(17-35-27(3,4)26(30)31)28-29(23)15-22-24(32-5)11-8-12-25(22)33-6/h7-14,18H,15-17H2,1-6H3,(H,30,31)
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TBA

Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM356771
PNG
(US10214492, Example 135 | US11292767, Example 135)
Show SMILES COc1cccc(OC)c1Cn1nc(COC(C)(C)C(O)=O)cc1-c1cccc(OCC(C)C)c1
Show InChI InChI=1S/C27H34N2O6/c1-18(2)16-34-21-10-7-9-19(13-21)23-14-20(17-35-27(3,4)26(30)31)28-29(23)15-22-24(32-5)11-8-12-25(22)33-6/h7-14,18H,15-17H2,1-6H3,(H,30,31)
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Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM356758
PNG
(US10214492, Example 122 | US11292767, Example 122)
Show SMILES CC[C@H](OCc1cc(-c2cccc(OC)c2)n(Cc2ccccc2Cl)n1)C(O)=O |r|
Show InChI InChI=1S/C22H23ClN2O4/c1-3-21(22(26)27)29-14-17-12-20(15-8-6-9-18(11-15)28-2)25(24-17)13-16-7-4-5-10-19(16)23/h4-12,21H,3,13-14H2,1-2H3,(H,26,27)/t21-/m0/s1
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Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM356890
PNG
(US10214492, Example 241 | US11292767, Example 241)
Show SMILES COc1cc(OC)cc(c1)-c1cc(COC(C)(C)C(O)=O)nn1-c1cccc(Cl)c1
Show InChI InChI=1S/C22H23ClN2O5/c1-22(2,21(26)27)30-13-16-11-20(14-8-18(28-3)12-19(9-14)29-4)25(24-16)17-7-5-6-15(23)10-17/h5-12H,13H2,1-4H3,(H,26,27)
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Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345281
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-(3- isobutoxyphe...)
Show SMILES CC(C)COc1cccc(c1)-c1cc(COC(C)(C)C(O)=O)nn1Cc1ccccc1Cl
Show InChI InChI=1S/C25H29ClN2O4/c1-17(2)15-31-21-10-7-9-18(12-21)23-13-20(16-32-25(3,4)24(29)30)27-28(23)14-19-8-5-6-11-22(19)26/h5-13,17H,14-16H2,1-4H3,(H,29,30)
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Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345260
PNG
(2-[[5-(4-Chlorophenyl)-1-[(2,4- dichlorophenyl)me...)
Show SMILES OC(=O)COCc1cc(-c2ccc(Cl)cc2)n(Cc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C19H15Cl3N2O3/c20-14-4-1-12(2-5-14)18-8-16(10-27-11-19(25)26)23-24(18)9-13-3-6-15(21)7-17(13)22/h1-8H,9-11H2,(H,25,26)
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Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345334
PNG
(US10202350, Example 81 | US10214492, Example 81 | ...)
Show SMILES COc1cccc(c1)-c1cc(COC(C)(C)C(=O)NS(C)(=O)=O)nn1Cc1ccccc1Cl
Show InChI InChI=1S/C23H26ClN3O5S/c1-23(2,22(28)26-33(4,29)30)32-15-18-13-21(16-9-7-10-19(12-16)31-3)27(25-18)14-17-8-5-6-11-20(17)24/h5-13H,14-15H2,1-4H3,(H,26,28)
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Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345259
PNG
(2-[[5-(4-Chlorophenyl)-1-[(2,4- dichlorophenyl)me...)
Show SMILES CC(C)(OCc1cc(-c2ccc(Cl)cc2)n(Cc2ccc(Cl)cc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H19Cl3N2O3/c1-21(2,20(27)28)29-12-17-10-19(13-3-6-15(22)7-4-13)26(25-17)11-14-5-8-16(23)9-18(14)24/h3-10H,11-12H2,1-2H3,(H,27,28)
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Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345264
PNG
(2-[[5-(3-Chlorophenyl)-1-[(2- chlorophenyl)methyl...)
Show SMILES CC(C)(OCc1cc(-c2cccc(Cl)c2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20Cl2N2O3/c1-21(2,20(26)27)28-13-17-11-19(14-7-5-8-16(22)10-14)25(24-17)12-15-6-3-4-9-18(15)23/h3-11H,12-13H2,1-2H3,(H,26,27)
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Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345296
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-[3- (cyclobutylm...)
Show SMILES CC(C)(OCc1cc(-c2cccc(OCC3CCC3)c2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C26H29ClN2O4/c1-26(2,25(30)31)33-17-21-14-24(29(28-21)15-20-9-3-4-12-23(20)27)19-10-6-11-22(13-19)32-16-18-7-5-8-18/h3-4,6,9-14,18H,5,7-8,15-17H2,1-2H3,(H,30,31)
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Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM356737
PNG
(US10214492, Example 107 | US11292767, Example 107)
Show SMILES CC(C)COc1cccc(c1)-c1cc(COC(C)(C)C(O)=O)nn1Cc1ccc(cc1)N(C)C
Show InChI InChI=1S/C27H35N3O4/c1-19(2)17-33-24-9-7-8-21(14-24)25-15-22(18-34-27(3,4)26(31)32)28-30(25)16-20-10-12-23(13-11-20)29(5)6/h7-15,19H,16-18H2,1-6H3,(H,31,32)
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Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM356911
PNG
(US10214492, Example 262 | US11292767, Example 262)
Show SMILES CC[C@@](C)(OCc1cc(-c2cccc(OC3CC3)c2)n(n1)-c1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C24H25ClN2O4/c1-3-24(2,23(28)29)30-15-17-14-22(27(26-17)21-10-5-4-9-20(21)25)16-7-6-8-19(13-16)31-18-11-12-18/h4-10,13-14,18H,3,11-12,15H2,1-2H3,(H,28,29)/t24-/m1/s1
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Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345257
PNG
(2-[[5-(4-Chlorophenyl)-1-[(2- chlorophenyl)methyl...)
Show SMILES CC(C)(OCc1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20Cl2N2O3/c1-21(2,20(26)27)28-13-17-11-19(14-7-9-16(22)10-8-14)25(24-17)12-15-5-3-4-6-18(15)23/h3-11H,12-13H2,1-2H3,(H,26,27)
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Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM50055500
PNG
(CHEMBL3326256)
Show SMILES CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(=O)n(CCCCO)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H30N4O4/c1-17(2)16-30-23-22(25(33)28(3)26(30)34)29(13-6-7-14-31)24(32)21(27-23)15-19-11-8-10-18-9-4-5-12-20(18)19/h4-5,8-12,17,31H,6-7,13-16H2,1-3H3
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n/an/a 548n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...


J Med Chem 57: 7317-24 (2014)


Article DOI: 10.1021/jm500640x
BindingDB Entry DOI: 10.7270/Q2F76F6D
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM356767
PNG
(US10214492, Example 131 | US11292767, Example 131)
Show SMILES CC(C)(OCc1cc(-c2ccc(OC3CC3)s2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C22H23ClN2O4S/c1-22(2,21(26)27)28-13-15-11-18(19-9-10-20(30-19)29-16-7-8-16)25(24-15)12-14-5-3-4-6-17(14)23/h3-6,9-11,16H,7-8,12-13H2,1-2H3,(H,26,27)
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Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM356767
PNG
(US10214492, Example 131 | US11292767, Example 131)
Show SMILES CC(C)(OCc1cc(-c2ccc(OC3CC3)s2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C22H23ClN2O4S/c1-22(2,21(26)27)28-13-15-11-18(19-9-10-20(30-19)29-16-7-8-16)25(24-15)12-14-5-3-4-6-17(14)23/h3-6,9-11,16H,7-8,12-13H2,1-2H3,(H,26,27)
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TBA

Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM50055503
PNG
(CHEMBL3326259)
Show SMILES CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(SCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H30N4O3S/c1-17(2)16-30-23-22(25(32)29(3)26(30)33)28-24(34-14-7-6-13-31)21(27-23)15-19-11-8-10-18-9-4-5-12-20(18)19/h4-5,8-12,17,31H,6-7,13-16H2,1-3H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...


J Med Chem 57: 7317-24 (2014)


Article DOI: 10.1021/jm500640x
BindingDB Entry DOI: 10.7270/Q2F76F6D
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM50055502
PNG
(CHEMBL3326252)
Show SMILES CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(SCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C25H28N4O3S/c1-16(2)15-29-22-21(24(31)28(3)25(29)32)27-23(33-13-7-12-30)20(26-22)14-18-10-6-9-17-8-4-5-11-19(17)18/h4-6,8-11,16,30H,7,12-15H2,1-3H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...


J Med Chem 57: 7317-24 (2014)


Article DOI: 10.1021/jm500640x
BindingDB Entry DOI: 10.7270/Q2F76F6D
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345271
PNG
(1-[[5-(4-Chlorophenyl)-1-[(2- chlorophenyl)methyl...)
Show SMILES OC(=O)C1(CC1)OCc1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2Cl)n1
Show InChI InChI=1S/C21H18Cl2N2O3/c22-16-7-5-14(6-8-16)19-11-17(13-28-21(9-10-21)20(26)27)24-25(19)12-15-3-1-2-4-18(15)23/h1-8,11H,9-10,12-13H2,(H,26,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2CR5ZGC
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345295
PNG
(1-[[1-[(2-Chlorophenyl)methyl]-5-(3- methoxypheny...)
Show SMILES COc1cccc(c1)-c1cc(COC2(CCC2)C(O)=O)nn1Cc1ccccc1Cl
Show InChI InChI=1S/C23H23ClN2O4/c1-29-19-8-4-7-16(12-19)21-13-18(15-30-23(22(27)28)10-5-11-23)25-26(21)14-17-6-2-3-9-20(17)24/h2-4,6-9,12-13H,5,10-11,14-15H2,1H3,(H,27,28)
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2CR5ZGC
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345271
PNG
(1-[[5-(4-Chlorophenyl)-1-[(2- chlorophenyl)methyl...)
Show SMILES OC(=O)C1(CC1)OCc1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2Cl)n1
Show InChI InChI=1S/C21H18Cl2N2O3/c22-16-7-5-14(6-8-16)19-11-17(13-28-21(9-10-21)20(26)27)24-25(19)12-15-3-1-2-4-18(15)23/h1-8,11H,9-10,12-13H2,(H,26,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345295
PNG
(1-[[1-[(2-Chlorophenyl)methyl]-5-(3- methoxypheny...)
Show SMILES COc1cccc(c1)-c1cc(COC2(CCC2)C(O)=O)nn1Cc1ccccc1Cl
Show InChI InChI=1S/C23H23ClN2O4/c1-29-19-8-4-7-16(12-19)21-13-18(15-30-23(22(27)28)10-5-11-23)25-26(21)14-17-6-2-3-9-20(17)24/h2-4,6-9,12-13H,5,10-11,14-15H2,1H3,(H,27,28)
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345259
PNG
(2-[[5-(4-Chlorophenyl)-1-[(2,4- dichlorophenyl)me...)
Show SMILES CC(C)(OCc1cc(-c2ccc(Cl)cc2)n(Cc2ccc(Cl)cc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H19Cl3N2O3/c1-21(2,20(27)28)29-12-17-10-19(13-3-6-15(22)7-4-13)26(25-17)11-14-5-8-16(23)9-18(14)24/h3-10H,11-12H2,1-2H3,(H,27,28)
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n/an/a 1.80E+3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2CR5ZGC
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345259
PNG
(2-[[5-(4-Chlorophenyl)-1-[(2,4- dichlorophenyl)me...)
Show SMILES CC(C)(OCc1cc(-c2ccc(Cl)cc2)n(Cc2ccc(Cl)cc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H19Cl3N2O3/c1-21(2,20(27)28)29-12-17-10-19(13-3-6-15(22)7-4-13)26(25-17)11-14-5-8-16(23)9-18(14)24/h3-10H,11-12H2,1-2H3,(H,27,28)
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n/an/a 1.80E+3n/an/an/an/an/an/a


TBA

Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM50055501
PNG
(CHEMBL3326257)
Show SMILES CCCn1c2c(nc(Cc3cccc4ccccc34)c1=O)n(CC(C)C)c(=O)n(C)c2=O
Show InChI InChI=1S/C25H28N4O3/c1-5-13-28-21-22(29(15-16(2)3)25(32)27(4)24(21)31)26-20(23(28)30)14-18-11-8-10-17-9-6-7-12-19(17)18/h6-12,16H,5,13-15H2,1-4H3
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Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...


J Med Chem 57: 7317-24 (2014)


Article DOI: 10.1021/jm500640x
BindingDB Entry DOI: 10.7270/Q2F76F6D
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM50055504
PNG
(CHEMBL3326264)
Show SMILES CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(CCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H30N4O3/c1-17(2)16-30-24-23(25(32)29(3)26(30)33)27-21(13-6-7-14-31)22(28-24)15-19-11-8-10-18-9-4-5-12-20(18)19/h4-5,8-12,17,31H,6-7,13-16H2,1-3H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...


J Med Chem 57: 7317-24 (2014)


Article DOI: 10.1021/jm500640x
BindingDB Entry DOI: 10.7270/Q2F76F6D
More data for this
Ligand-Target Pair
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