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Compile Data Set for Download or QSAR

Found 660 hits of ic50 data for polymerid = 50005991,9048   
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 1


(Rattus norvegicus (Rat))
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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US Patent
n/an/a 7.60n/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


(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


(Rattus norvegicus (Rat))
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



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


(Rattus norvegicus (Rat))
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/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


(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


(Rattus norvegicus (Rat))
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



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


(Rattus norvegicus (Rat))
BDBM50092073
PNG
(CHEMBL3582418 | US9296728, 13)
Show SMILES CCCN(CCC)c1ccc(\C=C(/C#N)C(O)=O)c(OC)c1
Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)14-8-11-10(5-6-13(23-2)15(11)24-14)17(22)20-12-4-3-7-19-16(12)18/h3-8H,1-2H3,(H,20,22)
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n/an/a 9.5n/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


(Rattus norvegicus (Rat))
BDBM50092058
PNG
(CHEMBL3582408)
Show SMILES CCCN(CCC)c1ccc(\C=C(/C#N)C(O)=O)cc1
Show InChI InChI=1S/C17H12Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-7H,1-2H3,(H,20,21,23)
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n/an/a 10n/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


(Rattus norvegicus (Rat))
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



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


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


(Rattus norvegicus (Rat))
BDBM50092068
PNG
(CHEMBL3582423)
Show SMILES [Na+].COc1cc(ccc1\C=C(/C#N)C([O-])=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H14N2O4/c1-10(20)15-9-13-12(3-4-14(22-2)16(13)23-15)17(21)19-11-5-7-18-8-6-11/h3-9H,1-2H3,(H,18,19,21)
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n/an/a 11n/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


(Rattus norvegicus (Rat))
BDBM50092073
PNG
(CHEMBL3582418 | US9296728, 13)
Show SMILES CCCN(CCC)c1ccc(\C=C(/C#N)C(O)=O)c(OC)c1
Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)14-8-11-10(5-6-13(23-2)15(11)24-14)17(22)20-12-4-3-7-19-16(12)18/h3-8H,1-2H3,(H,20,22)
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n/an/a 12n/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


(Rattus norvegicus (Rat))
BDBM50608638
PNG
(CHEMBL4303684)
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n/an/a 13n/an/an/an/an/an/a


TBA



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


(Rattus norvegicus (Rat))
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 15n/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


(Rattus norvegicus (Rat))
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 19n/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


(Rattus norvegicus (Rat))
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 23n/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


(Homo sapiens (Human))
BDBM50608633
PNG
(CHEMBL3582501)
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Citation and Details
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Rattus norvegicus (Rat))
BDBM50092067
PNG
(CHEMBL3582424 | US9296728, 16)
Show SMILES COc1cc(ccc1\C=C(/C#N)C(O)=O)N(CC=C)CC=C
Show InChI InChI=1S/C17H14Cl2N2O3/c1-3-9-6-11-10(4-5-14(23-2)16(11)24-9)17(22)21-15-12(18)7-20-8-13(15)19/h4-8H,3H2,1-2H3,(H,20,21,22)
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n/an/a 25n/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


(Rattus norvegicus (Rat))
BDBM50092065
PNG
(CHEMBL3582426)
Show SMILES [Na+].COc1cc(ccc1\C=C(/C#N)C([O-])=O)N1CCCCC1
Show InChI InChI=1S/C20H20Cl2N2O3/c1-20(2,3)8-11-7-13-12(5-6-16(26-4)18(13)27-11)19(25)24-17-14(21)9-23-10-15(17)22/h5-7,9-10H,8H2,1-4H3,(H,23,24,25)
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n/an/a 25n/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


(Rattus norvegicus (Rat))
BDBM50092057
PNG
(CHEMBL3582409 | US9296728, 4)
Show SMILES CCCCN(CCCC)c1ccc(\C=C(/C#N)C(O)=O)cc1
Show InChI InChI=1S/C22H33NO/c1-7-23-21(24)16-18(3)11-8-10-17(2)13-14-20-19(4)12-9-15-22(20,5)6/h8,10-11,13-14,16H,7,9,12,15H2,1-6H3,(H,23,24)/b11-8+,14-13+,17-10+,18-16+
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n/an/a 26n/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


(Rattus norvegicus (Rat))
BDBM50092067
PNG
(CHEMBL3582424 | US9296728, 16)
Show SMILES COc1cc(ccc1\C=C(/C#N)C(O)=O)N(CC=C)CC=C
Show InChI InChI=1S/C17H14Cl2N2O3/c1-3-9-6-11-10(4-5-14(23-2)16(11)24-9)17(22)21-15-12(18)7-20-8-13(15)19/h4-8H,3H2,1-2H3,(H,20,21,22)
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n/an/a 29n/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


(Rattus norvegicus (Rat))
BDBM50092076
PNG
(CHEMBL3582415)
Show SMILES OC(=O)C(=C\c1ccc(cc1)N(c1ccccc1)c1ccccc1)\C#N
Show InChI InChI=1S/C22H16N2O2/c23-16-18(22(25)26)15-17-11-13-21(14-12-17)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15H,(H,25,26)/b18-15+
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n/an/a 30n/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


(Rattus norvegicus (Rat))
BDBM50092057
PNG
(CHEMBL3582409 | US9296728, 4)
Show SMILES CCCCN(CCCC)c1ccc(\C=C(/C#N)C(O)=O)cc1
Show InChI InChI=1S/C22H33NO/c1-7-23-21(24)16-18(3)11-8-10-17(2)13-14-20-19(4)12-9-15-22(20,5)6/h8,10-11,13-14,16H,7,9,12,15H2,1-6H3,(H,23,24)/b11-8+,14-13+,17-10+,18-16+
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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


(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


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


(Rattus norvegicus (Rat))
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



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


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


(Rattus norvegicus (Rat))
BDBM214695
PNG
(US9296728, 10)
Show SMILES OC(=O)C(=C\c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1)\C#N
Show InChI InChI=1S/C24H20N2O2/c25-16-22(24(27)28)15-19-11-13-23(14-12-19)26(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-15H,17-18H2,(H,27,28)/b22-15+
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n/an/a 43n/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


(Rattus norvegicus (Rat))
BDBM50092066
PNG
(CHEMBL3582425)
Show SMILES [Na+].COc1cc(ccc1\C=C(/C#N)C([O-])=O)N1CCCC1
Show InChI InChI=1S/C18H14ClNO4/c1-10(21)16-9-12-11(7-8-15(23-2)17(12)24-16)18(22)20-14-6-4-3-5-13(14)19/h3-9H,1-2H3,(H,20,22)
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n/an/a 48n/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


(Rattus norvegicus (Rat))
BDBM214702
PNG
(US9296728, 25)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H19NO4/c26-23(27)21-13-19-11-12-20(14-22(19)29-24(21)28)25(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,26,27)
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n/an/a 48n/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


(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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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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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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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


(Rattus norvegicus (Rat))
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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n/an/a 59n/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


(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


(Rattus norvegicus (Rat))
BDBM50606661
PNG
(CHEMBL5220706)
Show SMILES CC(C)c1ccc(\C=C(/C#N)C(O)=O)cc1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113806
BindingDB Entry DOI: 10.7270/Q2M61QBT
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Rattus norvegicus (Rat))
BDBM50608639
PNG
(CHEMBL4793546)
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Citation and Details
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Rattus norvegicus (Rat))
BDBM50092018
PNG
(CHEMBL3582410 | US9296728, 9)
Show SMILES CC(C)CN(CC(C)C)c1ccc(\C=C(/C#N)C(O)=O)cc1
Show InChI InChI=1S/C18H24N2O2/c1-13(2)11-20(12-14(3)4)17-7-5-15(6-8-17)9-16(10-19)18(21)22/h5-9,13-14H,11-12H2,1-4H3,(H,21,22)/b16-9+
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n/an/a 66n/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


(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


(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


(Rattus norvegicus (Rat))
BDBM50092078
PNG
(CHEMBL3582413 | US9296728, 7)
Show SMILES OC(=O)C(=C\c1ccc(cc1)N(CC=C)CC=C)\C#N
Show InChI InChI=1S/C16H16N2O2/c1-3-9-18(10-4-2)15-7-5-13(6-8-15)11-14(12-17)16(19)20/h3-8,11H,1-2,9-10H2,(H,19,20)/b14-11+
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n/an/a 88n/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


(Rattus norvegicus (Rat))
BDBM214702
PNG
(US9296728, 25)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H19NO4/c26-23(27)21-13-19-11-12-20(14-22(19)29-24(21)28)25(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,26,27)
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n/an/a 90n/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


(Rattus norvegicus (Rat))
BDBM214696
PNG
(US9296728, 17)
Show SMILES COc1cc(ccc1\C=C(/C#N)C(O)=O)N(CC#C)CC#C
Show InChI InChI=1S/C17H14N2O3/c1-4-8-19(9-5-2)15-7-6-13(16(11-15)22-3)10-14(12-18)17(20)21/h1-2,6-7,10-11H,8-9H2,3H3,(H,20,21)/b14-10+
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n/an/a 91n/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


(Rattus norvegicus (Rat))
BDBM50608637
PNG
(CHEMBL5280660)
PDB

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


(Rattus norvegicus (Rat))
BDBM50092018
PNG
(CHEMBL3582410 | US9296728, 9)
Show SMILES CC(C)CN(CC(C)C)c1ccc(\C=C(/C#N)C(O)=O)cc1
Show InChI InChI=1S/C18H24N2O2/c1-13(2)11-20(12-14(3)4)17-7-5-15(6-8-17)9-16(10-19)18(21)22/h5-9,13-14H,11-12H2,1-4H3,(H,21,22)/b16-9+
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n/an/a 100n/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


(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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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))
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
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))
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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US Patent
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)
PDB

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UniProtKB/SwissProt

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US Patent
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
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