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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1872   
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 (Human))
BDBM345267
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-[3- (trifluorome...)
Show SMILES CC(C)(OCc1cc(-c2cccc(c2)C(F)(F)F)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C22H20ClF3N2O3/c1-21(2,20(29)30)31-13-17-11-19(14-7-5-8-16(10-14)22(24,25)26)28(27-17)12-15-6-3-4-9-18(15)23/h3-11H,12-13H2,1-2H3,(H,29,30)
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n/an/a 20n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(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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n/an/a 21n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345268
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-(3- methoxypheny...)
Show SMILES COc1cccc(c1)-c1cc(COC(C)(C)C(O)=O)nn1Cc1ccccc1Cl
Show InChI InChI=1S/C22H23ClN2O4/c1-22(2,21(26)27)29-14-17-12-20(15-8-6-9-18(11-15)28-3)25(24-17)13-16-7-4-5-10-19(16)23/h4-12H,13-14H2,1-3H3,(H,26,27)
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Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345266
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-(3- fluorophenyl...)
Show SMILES CC(C)(OCc1cc(-c2cccc(F)c2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20ClFN2O3/c1-21(2,20(26)27)28-13-17-11-19(14-7-5-8-16(23)10-14)25(24-17)12-15-6-3-4-9-18(15)22/h3-11H,12-13H2,1-2H3,(H,26,27)
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Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345265
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-(m- tolyl)pyrazo...)
Show SMILES Cc1cccc(c1)-c1cc(COC(C)(C)C(O)=O)nn1Cc1ccccc1Cl
Show InChI InChI=1S/C22H23ClN2O3/c1-15-7-6-9-16(11-15)20-12-18(14-28-22(2,3)21(26)27)24-25(20)13-17-8-4-5-10-19(17)23/h4-12H,13-14H2,1-3H3,(H,26,27)
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n/an/a 45n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345258
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-(4- fluorophenyl...)
Show SMILES CC(C)(OCc1cc(-c2ccc(F)cc2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20ClFN2O3/c1-21(2,20(26)27)28-13-17-11-19(14-7-9-16(23)10-8-14)25(24-17)12-15-5-3-4-6-18(15)22/h3-11H,12-13H2,1-2H3,(H,26,27)
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n/an/a 68n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345262
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-phenyl- pyrazol-...)
Show SMILES CC(C)(OCc1cc(-c2ccccc2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H21ClN2O3/c1-21(2,20(25)26)27-14-17-12-19(15-8-4-3-5-9-15)24(23-17)13-16-10-6-7-11-18(16)22/h3-12H,13-14H2,1-2H3,(H,25,26)
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n/an/a 69n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(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
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345273
PNG
(2-[[5-(4-Chlorophenyl)-1-[(2- fluorophenyl)methyl...)
Show SMILES CC(C)(OCc1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2F)n1)C(O)=O
Show InChI InChI=1S/C21H20ClFN2O3/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
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345272
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-thiazol- 2-yl-py...)
Show SMILES CC(C)(OCc1cc(-c2nccs2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C18H18ClN3O3S/c1-18(2,17(23)24)25-11-13-9-15(16-20-7-8-26-16)22(21-13)10-12-5-3-4-6-14(12)19/h3-9H,10-11H2,1-2H3,(H,23,24)
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n/an/a 152n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(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 160n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(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
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345277
PNG
(2-[[5-(4-Chlorophenyl)-1-(3- pyridylmethyl)pyrazo...)
Show SMILES CC(C)(OCc1cc(-c2ccc(Cl)cc2)n(Cc2cccnc2)n1)C(O)=O
Show InChI InChI=1S/C20H20ClN3O3/c1-20(2,19(25)26)27-13-17-10-18(15-5-7-16(21)8-6-15)24(23-17)12-14-4-3-9-22-11-14/h3-11H,12-13H2,1-2H3,(H,25,26)
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Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345263
PNG
(2-[[5-(2-Chlorophenyl)-1-[(2- chlorophenyl)methyl...)
Show SMILES CC(C)(OCc1cc(-c2ccccc2Cl)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20Cl2N2O3/c1-21(2,20(26)27)28-13-15-11-19(16-8-4-6-10-18(16)23)25(24-15)12-14-7-3-5-9-17(14)22/h3-11H,12-13H2,1-2H3,(H,26,27)
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Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345255
PNG
(US10202350, Example 1 | US11724989, Example 1)
Show SMILES CC(C)(OCc1cc(-c2ccccc2)n(Cc2cccc(Cl)c2)n1)C(O)=O
Show InChI InChI=1S/C21H21ClN2O3/c1-21(2,20(25)26)27-14-18-12-19(16-8-4-3-5-9-16)24(23-18)13-15-7-6-10-17(22)11-15/h3-12H,13-14H2,1-2H3,(H,25,26)
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Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(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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Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345256
PNG
(2-[[5-(4-Chlorophenyl)-1-[(4- chlorophenyl)methyl...)
Show SMILES CC(C)(OCc1cc(-c2ccc(Cl)cc2)n(Cc2ccc(Cl)cc2)n1)C(O)=O
Show InChI InChI=1S/C21H20Cl2N2O3/c1-21(2,20(26)27)28-13-18-11-19(15-5-9-17(23)10-6-15)25(24-18)12-14-3-7-16(22)8-4-14/h3-11H,12-13H2,1-2H3,(H,26,27)
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Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345261
PNG
(2-[[1-Benzyl-5-(4-Chlorophenyl)pyrazol- 3-yl]meth...)
Show SMILES CC(C)(OCc1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)n1)C(O)=O
Show InChI InChI=1S/C21H21ClN2O3/c1-21(2,20(25)26)27-14-18-12-19(16-8-10-17(22)11-9-16)24(23-18)13-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3,(H,25,26)
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Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345269
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5- cyclohexyl-pyra...)
Show SMILES CC(C)(OCc1cc(C2CCCCC2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H27ClN2O3/c1-21(2,20(25)26)27-14-17-12-19(15-8-4-3-5-9-15)24(23-17)13-16-10-6-7-11-18(16)22/h6-7,10-12,15H,3-5,8-9,13-14H2,1-2H3,(H,25,26)
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Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345270
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5- cyclopentyl-pyr...)
Show SMILES CC(C)(OCc1cc(C2CCCC2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C20H25ClN2O3/c1-20(2,19(24)25)26-13-16-11-18(14-7-3-4-8-14)23(22-16)12-15-9-5-6-10-17(15)21/h5-6,9-11,14H,3-4,7-8,12-13H2,1-2H3,(H,24,25)
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Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345276
PNG
(2-[[5-(4-Chlorophenyl)-1-(2- pyridylmethyl)pyrazo...)
Show SMILES CC(C)(OCc1cc(-c2ccc(Cl)cc2)n(Cc2ccccn2)n1)C(O)=O
Show InChI InChI=1S/C20H20ClN3O3/c1-20(2,19(25)26)27-13-17-11-18(14-6-8-15(21)9-7-14)24(23-17)12-16-5-3-4-10-22-16/h3-11H,12-13H2,1-2H3,(H,25,26)
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40E+4n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345274
PNG
(2-[[5-(4-Chlorophenyl)-1-[(2- chlorophenyl)methyl...)
Show SMILES CC(C)(OCc1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2Cl)n1)C(N)=O
Show InChI InChI=1S/C21H21Cl2N3O2/c1-21(2,20(24)27)28-13-17-11-19(14-7-9-16(22)10-8-14)26(25-17)12-15-5-3-4-6-18(15)23/h3-11H,12-13H2,1-2H3,(H2,24,27)
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.70E+4n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345275
PNG
(2-[[5-(4-chlorophenyl)-1-(4- pyridylmethyl)pyrazo...)
Show SMILES CC(C)(OCc1cc(-c2ccc(Cl)cc2)n(Cc2ccncc2)n1)C(O)=O
Show InChI InChI=1S/C20H20ClN3O3/c1-20(2,19(25)26)27-13-17-11-18(15-3-5-16(21)6-4-15)24(23-17)12-14-7-9-22-10-8-14/h3-11H,12-13H2,1-2H3,(H,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.50E+4n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair