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Compile Data Set for Download or QSAR

Found 752 hits of ic50 data for polymerid = 50006446   
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))
BDBM356917
PNG
(US10214492, Example 268 | US11292767, Example 268)
Show SMILES CCn1ncc2ccc(cc12)-c1cc(CO[C@](C)(CC)C(O)=O)nn1-c1ccccc1N1CCCC1 |r|
Show InChI InChI=1S/C28H33N5O3/c1-4-28(3,27(34)35)36-19-22-17-26(20-12-13-21-18-29-32(5-2)25(21)16-20)33(30-22)24-11-7-6-10-23(24)31-14-8-9-15-31/h6-7,10-13,16-18H,4-5,8-9,14-15,19H2,1-3H3,(H,34,35)/t28-/m1/s1
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TBA

Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356873
PNG
(US10214492, Example 223 | US11292767, Example 223)
Show SMILES CC[C@@](C)(OCc1cc(-c2cccc(OCC(C)(C)C)c2)n(n1)-c1cccc2cnn(C)c12)C(O)=O |r|
Show InChI InChI=1S/C28H34N4O4/c1-7-28(5,26(33)34)36-17-21-15-24(19-10-8-12-22(14-19)35-18-27(2,3)4)32(30-21)23-13-9-11-20-16-29-31(6)25(20)23/h8-16H,7,17-18H2,1-6H3,(H,33,34)/t28-/m1/s1
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TBA

Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356917
PNG
(US10214492, Example 268 | US11292767, Example 268)
Show SMILES CCn1ncc2ccc(cc12)-c1cc(CO[C@](C)(CC)C(O)=O)nn1-c1ccccc1N1CCCC1 |r|
Show InChI InChI=1S/C28H33N5O3/c1-4-28(3,27(34)35)36-19-22-17-26(20-12-13-21-18-29-32(5-2)25(21)16-20)33(30-22)24-11-7-6-10-23(24)31-14-8-9-15-31/h6-7,10-13,16-18H,4-5,8-9,14-15,19H2,1-3H3,(H,34,35)/t28-/m1/s1
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Vettore, LLC

US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356873
PNG
(US10214492, Example 223 | US11292767, Example 223)
Show SMILES CC[C@@](C)(OCc1cc(-c2cccc(OCC(C)(C)C)c2)n(n1)-c1cccc2cnn(C)c12)C(O)=O |r|
Show InChI InChI=1S/C28H34N4O4/c1-7-28(5,26(33)34)36-17-21-15-24(19-10-8-12-22(14-19)35-18-27(2,3)4)32(30-21)23-13-9-11-20-16-29-31(6)25(20)23/h8-16H,7,17-18H2,1-6H3,(H,33,34)/t28-/m1/s1
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Vettore, LLC

US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356790
PNG
(US10214492, Example 155 | US11292767, Example 155)
Show SMILES CC(C)(C)COc1cccc(c1)-c1cc(COC(C)(C)C(O)=O)nn1-c1ccccc1N1CCC1
Show InChI InChI=1S/C28H35N3O4/c1-27(2,3)19-34-22-11-8-10-20(16-22)25-17-21(18-35-28(4,5)26(32)33)29-31(25)24-13-7-6-12-23(24)30-14-9-15-30/h6-8,10-13,16-17H,9,14-15,18-19H2,1-5H3,(H,32,33)
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Vettore, LLC

US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356790
PNG
(US10214492, Example 155 | US11292767, Example 155)
Show SMILES CC(C)(C)COc1cccc(c1)-c1cc(COC(C)(C)C(O)=O)nn1-c1ccccc1N1CCC1
Show InChI InChI=1S/C28H35N3O4/c1-27(2,3)19-34-22-11-8-10-20(16-22)25-17-21(18-35-28(4,5)26(32)33)29-31(25)24-13-7-6-12-23(24)30-14-9-15-30/h6-8,10-13,16-17H,9,14-15,18-19H2,1-5H3,(H,32,33)
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TBA

Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356913
PNG
(US10214492, Example 264)
Show SMILES CCOc1ccccc1Cn1nc(cc1-c1cc(OC)cc(OC)c1)[C@](C)(CC)OC(C)(C)C(O)=O |r|
Show InChI InChI=1S/C28H36N2O6/c1-8-28(5,36-27(3,4)26(31)32)25-17-23(20-14-21(33-6)16-22(15-20)34-7)30(29-25)18-19-12-10-11-13-24(19)35-9-2/h10-17H,8-9,18H2,1-7H3,(H,31,32)/t28-/m0/s1
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Vettore, LLC

US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356906
PNG
(US10214492, Example 257 | US11292767, Example 257)
Show SMILES CCn1ncc2ccc(cc12)-c1cc(CO[C@@](C)(CC)C(O)=O)nn1Cc1ccccc1Cl |r|
Show InChI InChI=1S/C25H27ClN4O3/c1-4-25(3,24(31)32)33-16-20-13-23(30(28-20)15-19-8-6-7-9-21(19)26)17-10-11-18-14-27-29(5-2)22(18)12-17/h6-14H,4-5,15-16H2,1-3H3,(H,31,32)/t25-/m0/s1
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Vettore, LLC

US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM546758
PNG
((2R)-2-([5-(3,5-Dimethoxyphenyl)-1- [(2-ethoxyphen...)
Show SMILES CCOc1ccccc1Cn1nc(cc1-c1cc(OC)cc(OC)c1)[C@](C)(CC)OCC(O)=O |r|
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TBA

Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356906
PNG
(US10214492, Example 257 | US11292767, Example 257)
Show SMILES CCn1ncc2ccc(cc12)-c1cc(CO[C@@](C)(CC)C(O)=O)nn1Cc1ccccc1Cl |r|
Show InChI InChI=1S/C25H27ClN4O3/c1-4-25(3,24(31)32)33-16-20-13-23(30(28-20)15-19-8-6-7-9-21(19)26)17-10-11-18-14-27-29(5-2)22(18)12-17/h6-14H,4-5,15-16H2,1-3H3,(H,31,32)/t25-/m0/s1
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TBA

Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356915
PNG
(US10214492, Example 266 | US11292767, Example 266)
Show SMILES CC[C@@](C)(OCc1cc(-c2cccc(OC3CC3)c2)n(n1)-c1ccccc1N1CCC1)C(O)=O |r|
Show InChI InChI=1S/C27H31N3O4/c1-3-27(2,26(31)32)33-18-20-17-25(19-8-6-9-22(16-19)34-21-12-13-21)30(28-20)24-11-5-4-10-23(24)29-14-7-15-29/h4-6,8-11,16-17,21H,3,7,12-15,18H2,1-2H3,(H,31,32)/t27-/m1/s1
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TBA

Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356915
PNG
(US10214492, Example 266 | US11292767, Example 266)
Show SMILES CC[C@@](C)(OCc1cc(-c2cccc(OC3CC3)c2)n(n1)-c1ccccc1N1CCC1)C(O)=O |r|
Show InChI InChI=1S/C27H31N3O4/c1-3-27(2,26(31)32)33-18-20-17-25(19-8-6-9-22(16-19)34-21-12-13-21)30(28-20)24-11-5-4-10-23(24)29-14-7-15-29/h4-6,8-11,16-17,21H,3,7,12-15,18H2,1-2H3,(H,31,32)/t27-/m1/s1
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Vettore, LLC

US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356870
PNG
(US10214492, Example 220 | US11292767, Example 220)
Show SMILES CCn1ncc2ccc(cc12)-c1cc(CO[C@](C)(CC)C(O)=O)nn1Cc1ccccc1Cl |r|
Show InChI InChI=1S/C25H27ClN4O3/c1-4-25(3,24(31)32)33-16-20-13-23(30(28-20)15-19-8-6-7-9-21(19)26)17-10-11-18-14-27-29(5-2)22(18)12-17/h6-14H,4-5,15-16H2,1-3H3,(H,31,32)/t25-/m1/s1
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TBA

Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356870
PNG
(US10214492, Example 220 | US11292767, Example 220)
Show SMILES CCn1ncc2ccc(cc12)-c1cc(CO[C@](C)(CC)C(O)=O)nn1Cc1ccccc1Cl |r|
Show InChI InChI=1S/C25H27ClN4O3/c1-4-25(3,24(31)32)33-16-20-13-23(30(28-20)15-19-8-6-7-9-21(19)26)17-10-11-18-14-27-29(5-2)22(18)12-17/h6-14H,4-5,15-16H2,1-3H3,(H,31,32)/t25-/m1/s1
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Vettore, LLC

US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356916
PNG
(US10214492, Example 267 | US11292767, Example 267)
Show SMILES CCCn1ncc2ccc(cc12)-c1cc(CO[C@](C)(CC)C(O)=O)nn1-c1ccccc1N1CCC1 |r|
Show InChI InChI=1S/C28H33N5O3/c1-4-13-32-25-16-20(11-12-21(25)18-29-32)26-17-22(19-36-28(3,5-2)27(34)35)30-33(26)24-10-7-6-9-23(24)31-14-8-15-31/h6-7,9-12,16-18H,4-5,8,13-15,19H2,1-3H3,(H,34,35)/t28-/m1/s1
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Vettore, LLC

US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356916
PNG
(US10214492, Example 267 | US11292767, Example 267)
Show SMILES CCCn1ncc2ccc(cc12)-c1cc(CO[C@](C)(CC)C(O)=O)nn1-c1ccccc1N1CCC1 |r|
Show InChI InChI=1S/C28H33N5O3/c1-4-13-32-25-16-20(11-12-21(25)18-29-32)26-17-22(19-36-28(3,5-2)27(34)35)30-33(26)24-10-7-6-9-23(24)31-14-8-15-31/h6-7,9-12,16-18H,4-5,8,13-15,19H2,1-3H3,(H,34,35)/t28-/m1/s1
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TBA

Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356805
PNG
(US10214492, Example 167 | US11292767, Example 167)
Show SMILES Cn1ncc2cccc(-n3nc(COC(C)(C)C(O)=O)cc3-c3cccc(OCC(C)(C)C)c3)c12
Show InChI InChI=1S/C27H32N4O4/c1-26(2,3)17-34-21-11-7-9-18(13-21)23-14-20(16-35-27(4,5)25(32)33)29-31(23)22-12-8-10-19-15-28-30(6)24(19)22/h7-15H,16-17H2,1-6H3,(H,32,33)
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TBA

Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356811
PNG
(US10214492, Example 172 | US11292767, Example 172)
Show SMILES CCn1ncc2cccc(-n3nc(COC(C)(C)C(O)=O)cc3-c3cccc(OCC(C)(C)C)c3)c12
Show InChI InChI=1S/C28H34N4O4/c1-7-31-25-20(16-29-31)11-9-13-23(25)32-24(15-21(30-32)17-36-28(5,6)26(33)34)19-10-8-12-22(14-19)35-18-27(2,3)4/h8-16H,7,17-18H2,1-6H3,(H,33,34)
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Vettore, LLC

US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356805
PNG
(US10214492, Example 167 | US11292767, Example 167)
Show SMILES Cn1ncc2cccc(-n3nc(COC(C)(C)C(O)=O)cc3-c3cccc(OCC(C)(C)C)c3)c12
Show InChI InChI=1S/C27H32N4O4/c1-26(2,3)17-34-21-11-7-9-18(13-21)23-14-20(16-35-27(4,5)25(32)33)29-31(23)22-12-8-10-19-15-28-30(6)24(19)22/h7-15H,16-17H2,1-6H3,(H,32,33)
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Vettore, LLC

US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356811
PNG
(US10214492, Example 172 | US11292767, Example 172)
Show SMILES CCn1ncc2cccc(-n3nc(COC(C)(C)C(O)=O)cc3-c3cccc(OCC(C)(C)C)c3)c12
Show InChI InChI=1S/C28H34N4O4/c1-7-31-25-20(16-29-31)11-9-13-23(25)32-24(15-21(30-32)17-36-28(5,6)26(33)34)19-10-8-12-22(14-19)35-18-27(2,3)4/h8-16H,7,17-18H2,1-6H3,(H,33,34)
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Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356909
PNG
(US10214492, Example 260 | US11292767, Example 260)
Show SMILES CC(C)(OCc1cc(-c2cccc(OC3CCC3)c2)n(n1)-c1ccccc1N1CCC1)C(O)=O
Show InChI InChI=1S/C27H31N3O4/c1-27(2,26(31)32)33-18-20-17-25(19-8-5-11-22(16-19)34-21-9-6-10-21)30(28-20)24-13-4-3-12-23(24)29-14-7-15-29/h3-5,8,11-13,16-17,21H,6-7,9-10,14-15,18H2,1-2H3,(H,31,32)
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Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356909
PNG
(US10214492, Example 260 | US11292767, Example 260)
Show SMILES CC(C)(OCc1cc(-c2cccc(OC3CCC3)c2)n(n1)-c1ccccc1N1CCC1)C(O)=O
Show InChI InChI=1S/C27H31N3O4/c1-27(2,26(31)32)33-18-20-17-25(19-8-5-11-22(16-19)34-21-9-6-10-21)30(28-20)24-13-4-3-12-23(24)29-14-7-15-29/h3-5,8,11-13,16-17,21H,6-7,9-10,14-15,18H2,1-2H3,(H,31,32)
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Vettore, LLC

US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50606663
PNG
(CHEMBL5219543)
Show SMILES CC(C)(OCc1cc(-c2ccccc2)n(Cc2ccccc2)n1)C(O)=O
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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 4


(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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US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(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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US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10202350 (2019)


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


(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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Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356918
PNG
(US10214492, Example 269 | US11292767, Example 269)
Show SMILES CCn1ncc2ccc(cc12)-c1cc(CO[C@](C)(CC)C(O)=O)nn1-c1ccccc1N1CCC1 |r|
Show InChI InChI=1S/C27H31N5O3/c1-4-27(3,26(33)34)35-18-21-16-25(19-11-12-20-17-28-31(5-2)24(20)15-19)32(29-21)23-10-7-6-9-22(23)30-13-8-14-30/h6-7,9-12,15-17H,4-5,8,13-14,18H2,1-3H3,(H,33,34)/t27-/m1/s1
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Vettore, LLC

US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(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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Citation and Details

BindingDB Entry DOI: 10.7270/Q2CR5ZGC
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356918
PNG
(US10214492, Example 269 | US11292767, Example 269)
Show SMILES CCn1ncc2ccc(cc12)-c1cc(CO[C@](C)(CC)C(O)=O)nn1-c1ccccc1N1CCC1 |r|
Show InChI InChI=1S/C27H31N5O3/c1-4-27(3,26(33)34)35-18-21-16-25(19-11-12-20-17-28-31(5-2)24(20)15-19)32(29-21)23-10-7-6-9-22(23)30-13-8-14-30/h6-7,9-12,15-17H,4-5,8,13-14,18H2,1-3H3,(H,33,34)/t27-/m1/s1
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Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50606665
PNG
(Isotense | Londomin | NSC-77030 | Neoreserpan | SU...)
Show SMILES [H][C@]12C[C@@H](OC(=O)c3cc(OC)c(OC(=O)OCC)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cc(OC)ccc31)C2
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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 4


(Homo sapiens (Human))
BDBM50606664
PNG
(CHEMBL1616099)
Show SMILES OC(CNCc1ccc(cc1)-c1ccccc1)c1cccc(O)c1
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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 4


(Homo sapiens (Human))
BDBM50606663
PNG
(CHEMBL5219543)
Show SMILES CC(C)(OCc1cc(-c2ccccc2)n(Cc2ccccc2)n1)C(O)=O
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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 4


(Homo sapiens (Human))
BDBM50606665
PNG
(Isotense | Londomin | NSC-77030 | Neoreserpan | SU...)
Show SMILES [H][C@]12C[C@@H](OC(=O)c3cc(OC)c(OC(=O)OCC)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cc(OC)ccc31)C2
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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 4


(Homo sapiens (Human))
BDBM50606664
PNG
(CHEMBL1616099)
Show SMILES OC(CNCc1ccc(cc1)-c1ccccc1)c1cccc(O)c1
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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 4


(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
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10202350 (2019)


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


(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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Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(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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Citation and Details

BindingDB Entry DOI: 10.7270/Q2CR5ZGC
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(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
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356764
PNG
(US10214492, Example 128 | US11292767, Example 128)
Show SMILES CC(C)COc1ccc(s1)-c1cc(COC(C)(C)C(O)=O)nn1Cc1ccccc1Cl
Show InChI InChI=1S/C23H27ClN2O4S/c1-15(2)13-29-21-10-9-20(31-21)19-11-17(14-30-23(3,4)22(27)28)25-26(19)12-16-7-5-6-8-18(16)24/h5-11,15H,12-14H2,1-4H3,(H,27,28)
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Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356764
PNG
(US10214492, Example 128 | US11292767, Example 128)
Show SMILES CC(C)COc1ccc(s1)-c1cc(COC(C)(C)C(O)=O)nn1Cc1ccccc1Cl
Show InChI InChI=1S/C23H27ClN2O4S/c1-15(2)13-29-21-10-9-20(31-21)19-11-17(14-30-23(3,4)22(27)28)25-26(19)12-16-7-5-6-8-18(16)24/h5-11,15H,12-14H2,1-4H3,(H,27,28)
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Vettore, LLC

US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356899
PNG
(US10214492, Example 250)
Show SMILES CCCn1cnc2ccc(cc12)-c1cc(COC(C)(C)C(O)=O)nn1-c1ccccc1N1CCCC1
Show InChI InChI=1S/C28H33N5O3/c1-4-13-32-19-29-22-12-11-20(16-26(22)32)25-17-21(18-36-28(2,3)27(34)35)30-33(25)24-10-6-5-9-23(24)31-14-7-8-15-31/h5-6,9-12,16-17,19H,4,7-8,13-15,18H2,1-3H3,(H,34,35)
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Vettore, LLC

US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356832
PNG
(US10214492, Example 183 | US11292767, Example 183)
Show SMILES CC(C)(OCc1cc(-c2cccc(OC3CC3)c2)n(n1)-c1ccc(F)cc1N1CCC1)C(O)=O
Show InChI InChI=1S/C26H28FN3O4/c1-26(2,25(31)32)33-16-19-15-23(17-5-3-6-21(13-17)34-20-8-9-20)30(28-19)22-10-7-18(27)14-24(22)29-11-4-12-29/h3,5-7,10,13-15,20H,4,8-9,11-12,16H2,1-2H3,(H,31,32)
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US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356832
PNG
(US10214492, Example 183 | US11292767, Example 183)
Show SMILES CC(C)(OCc1cc(-c2cccc(OC3CC3)c2)n(n1)-c1ccc(F)cc1N1CCC1)C(O)=O
Show InChI InChI=1S/C26H28FN3O4/c1-26(2,25(31)32)33-16-19-15-23(17-5-3-6-21(13-17)34-20-8-9-20)30(28-19)22-10-7-18(27)14-24(22)29-11-4-12-29/h3,5-7,10,13-15,20H,4,8-9,11-12,16H2,1-2H3,(H,31,32)
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Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM546744
PNG
(2-Methyl-2-([5-(1-propyl-1H-indazol-6- yl)-1-[2-(p...)
Show SMILES CCCn1ncc2ccc(cc12)-c1cc(COC(C)(C)C(O)=O)nn1-c1ccccc1N1CCCC1
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MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356820
PNG
(US10214492, Example 177 | US11292767, Example 177)
Show SMILES CC(C)(C)COc1cccc(c1)-c1cc(COC(C)(C)C(O)=O)nn1-c1ccccc1Cl
Show InChI InChI=1S/C25H29ClN2O4/c1-24(2,3)16-31-19-10-8-9-17(13-19)22-14-18(15-32-25(4,5)23(29)30)27-28(22)21-12-7-6-11-20(21)26/h6-14H,15-16H2,1-5H3,(H,29,30)
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Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356820
PNG
(US10214492, Example 177 | US11292767, Example 177)
Show SMILES CC(C)(C)COc1cccc(c1)-c1cc(COC(C)(C)C(O)=O)nn1-c1ccccc1Cl
Show InChI InChI=1S/C25H29ClN2O4/c1-24(2,3)16-31-19-10-8-9-17(13-19)22-14-18(15-32-25(4,5)23(29)30)27-28(22)21-12-7-6-11-20(21)26/h6-14H,15-16H2,1-5H3,(H,29,30)
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US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356806
PNG
(US10214492, Example 168 | US11292767, Example 168)
Show SMILES Cn1ncc2cccc(-n3nc(COC(C)(C)C(O)=O)cc3-c3cccc(OCC4CCC4)c3)c12
Show InChI InChI=1S/C27H30N4O4/c1-27(2,26(32)33)35-17-21-14-24(19-9-5-11-22(13-19)34-16-18-7-4-8-18)31(29-21)23-12-6-10-20-15-28-30(3)25(20)23/h5-6,9-15,18H,4,7-8,16-17H2,1-3H3,(H,32,33)
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US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356806
PNG
(US10214492, Example 168 | US11292767, Example 168)
Show SMILES Cn1ncc2cccc(-n3nc(COC(C)(C)C(O)=O)cc3-c3cccc(OCC4CCC4)c3)c12
Show InChI InChI=1S/C27H30N4O4/c1-27(2,26(32)33)35-17-21-14-24(19-9-5-11-22(13-19)34-16-18-7-4-8-18)31(29-21)23-12-6-10-20-15-28-30(3)25(20)23/h5-6,9-15,18H,4,7-8,16-17H2,1-3H3,(H,32,33)
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MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356850
PNG
(US10214492, Example 200 | US11292767, Example 200)
Show SMILES CCOc1cc(OC)cc(c1)-c1cc(COC(C)(C)C(O)=O)nn1Cc1ccccc1OCC
Show InChI InChI=1S/C26H32N2O6/c1-6-32-22-13-19(12-21(15-22)31-5)23-14-20(17-34-26(3,4)25(29)30)27-28(23)16-18-10-8-9-11-24(18)33-7-2/h8-15H,6-7,16-17H2,1-5H3,(H,29,30)
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Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356878
PNG
(US10214492, Example 229 | US11292767, Example 229)
Show SMILES CCn1ncc2ccc(cc12)-c1cc(COC(C)(C)C(O)=O)nn1-c1ccccc1N1CCCC1
Show InChI InChI=1S/C27H31N5O3/c1-4-31-24-15-19(11-12-20(24)17-28-31)25-16-21(18-35-27(2,3)26(33)34)29-32(25)23-10-6-5-9-22(23)30-13-7-8-14-30/h5-6,9-12,15-17H,4,7-8,13-14,18H2,1-3H3,(H,33,34)
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Vettore, LLC

US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


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