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USPatent US9296728

Compile data set for download or QSAR
Found 26 hits of Enzyme Inhibition Constant Data   
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


(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


(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))
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


(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))
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))
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))
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


(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))
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))
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))
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))
BDBM214705
PNG
(US9296728, 29)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C26H19NO8/c28-25(29)19-9-17-3-4-18(10-22(17)35-26(19)30)27(11-15-1-5-20-23(7-15)33-13-31-20)12-16-2-6-21-24(8-16)34-14-32-21/h1-10H,11-14H2,(H,28,29)
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n/an/a 110n/an/an/an/a7.4337



Regents of the University of Minnesota

US Patent


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


US Patent US9296728 (2016)


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


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



Regents of the University of Minnesota

US Patent


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


US Patent US9296728 (2016)


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


(Rattus norvegicus (Rat))
BDBM50092017
PNG
(CHEMBL3582411 | US9296728, 5)
Show SMILES CCCCCN(CCCCC)c1ccc(\C=C(/C#N)C(O)=O)cc1
Show InChI InChI=1S/C20H28N2O2/c1-3-5-7-13-22(14-8-6-4-2)19-11-9-17(10-12-19)15-18(16-21)20(23)24/h9-12,15H,3-8,13-14H2,1-2H3,(H,23,24)/b18-15+
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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))
BDBM214701
PNG
(US9296728, 24)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N(CC#C)CC#C
Show InChI InChI=1S/C16H11NO4/c1-3-7-17(8-4-2)12-6-5-11-9-13(15(18)19)16(20)21-14(11)10-12/h1-2,5-6,9-10H,7-8H2,(H,18,19)
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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))
BDBM214703
PNG
(US9296728, 27)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N(Cc1ccc(F)cc1)Cc1ccc(F)cc1
Show InChI InChI=1S/C24H17F2NO4/c25-18-6-1-15(2-7-18)13-27(14-16-3-8-19(26)9-4-16)20-10-5-17-11-21(23(28)29)24(30)31-22(17)12-20/h1-12H,13-14H2,(H,28,29)
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n/an/a 200n/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))
BDBM50442702
PNG
(CHEMBL2442511 | US9296728, 26)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N1CCCC1
Show InChI InChI=1S/C14H13NO4/c16-13(17)11-7-9-3-4-10(15-5-1-2-6-15)8-12(9)19-14(11)18/h3-4,7-8H,1-2,5-6H2,(H,16,17)
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n/an/a 220n/an/an/an/a7.4337



Regents of the University of Minnesota

US Patent


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


US Patent US9296728 (2016)


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


(Rattus norvegicus (Rat))
BDBM214700
PNG
(US9296728, 23)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N(CC=C)CC=C
Show InChI InChI=1S/C16H15NO4/c1-3-7-17(8-4-2)12-6-5-11-9-13(15(18)19)16(20)21-14(11)10-12/h3-6,9-10H,1-2,7-8H2,(H,18,19)
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n/an/a 250n/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))
BDBM214699
PNG
(US9296728, 22)
Show SMILES CCCN(CCC)c1ccc2cc(C(O)=O)c(=O)oc2c1
Show InChI InChI=1S/C16H19NO4/c1-3-7-17(8-4-2)12-6-5-11-9-13(15(18)19)16(20)21-14(11)10-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19)
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n/an/a 299n/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))
BDBM50092077
PNG
(CHEMBL3582414 | US9296728, 8)
Show SMILES OC(=O)C(=C\c1ccc(cc1)N(CC#C)CC#C)\C#N
Show InChI InChI=1S/C16H12N2O2/c1-3-9-18(10-4-2)15-7-5-13(6-8-15)11-14(12-17)16(19)20/h1-2,5-8,11H,9-10H2,(H,19,20)/b14-11+
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Similars

US Patent
n/an/a 340n/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))
BDBM214704
PNG
(US9296728, 28)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H17Cl2NO4/c25-18-6-1-15(2-7-18)13-27(14-16-3-8-19(26)9-4-16)20-10-5-17-11-21(23(28)29)24(30)31-22(17)12-20/h1-12H,13-14H2,(H,28,29)
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n/an/a 920n/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))
BDBM50092016
PNG
(CHEMBL3582412 | US9296728, 6)
Show SMILES CCCCCCN(CCCCCC)c1ccc(\C=C(/C#N)C(O)=O)cc1
Show InChI InChI=1S/C22H32N2O2/c1-3-5-7-9-15-24(16-10-8-6-4-2)21-13-11-19(12-14-21)17-20(18-23)22(25)26/h11-14,17H,3-10,15-16H2,1-2H3,(H,25,26)/b20-17+
PDB

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PC cid
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US Patent
n/an/a 950n/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
* indicates data uncertainty>20%