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Patent code US10214492

Compile Data Set for Download or QSAR

Found 511 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 4


(Homo sapiens (Human))
BDBM356917
PNG
(US10214492, Example 268)
Show SMILES CCn1ncc2ccc(cc12)-c1cc(CO[C@](C)(CC)C(O)=O)nn1-c1ccccc1N1CCCC1
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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n/an/a 0.300n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356873
PNG
(US10214492, Example 223)
Show SMILES CC[C@@](C)(OCc1cc(-c2cccc(OCC(C)(C)C)c2)n(n1)-c1cccc2cnn(C)c12)C(O)=O
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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356790
PNG
(US10214492, 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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356906
PNG
(US10214492, Example 257)
Show SMILES CCn1ncc2ccc(cc12)-c1cc(CO[C@@](C)(CC)C(O)=O)nn1Cc1ccccc1Cl
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)

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
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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356915
PNG
(US10214492, Example 266)
Show SMILES CC[C@@](C)(OCc1cc(-c2cccc(OC3CC3)c2)n(n1)-c1ccccc1N1CCC1)C(O)=O
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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356870
PNG
(US10214492, Example 220)
Show SMILES CCn1ncc2ccc(cc12)-c1cc(CO[C@](C)(CC)C(O)=O)nn1Cc1ccccc1Cl
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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356916
PNG
(US10214492, Example 267)
Show SMILES CCCn1ncc2ccc(cc12)-c1cc(CO[C@](C)(CC)C(O)=O)nn1-c1ccccc1N1CCC1
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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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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356811
PNG
(US10214492, 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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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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356805
PNG
(US10214492, 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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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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356909
PNG
(US10214492, 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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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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356918
PNG
(US10214492, Example 269)
Show SMILES CCn1ncc2ccc(cc12)-c1cc(CO[C@](C)(CC)C(O)=O)nn1-c1ccccc1N1CCC1
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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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)

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)

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 ...


US Patent US10214492 (2019)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356764
PNG
(US10214492, 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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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)

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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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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356832
PNG
(US10214492, 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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356820
PNG
(US10214492, 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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356806
PNG
(US10214492, 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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356878
PNG
(US10214492, 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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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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356846
PNG
(US10214492, Example 196)
Show SMILES CCOc1ccccc1Cn1nc(COC(C)(C)C(O)=O)cc1-c1cc(Cl)cc(OC)c1
Show InChI InChI=1S/C24H27ClN2O5/c1-5-31-22-9-7-6-8-16(22)14-27-21(17-10-18(25)12-20(11-17)30-4)13-19(26-27)15-32-24(2,3)23(28)29/h6-13H,5,14-15H2,1-4H3,(H,28,29)
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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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356850
PNG
(US10214492, 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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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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356809
PNG
(US10214492, Example 170)
Show SMILES CC(C)COc1cccc(c1)-c1cc(COC(C)(C)C(O)=O)nn1-c1cccc2cnn(C)c12
Show InChI InChI=1S/C26H30N4O4/c1-17(2)15-33-21-10-6-8-18(12-21)23-13-20(16-34-26(3,4)25(31)32)28-30(23)22-11-7-9-19-14-27-29(5)24(19)22/h6-14,17H,15-16H2,1-5H3,(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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356881
PNG
(US10214492, Example 232)
Show SMILES CC(C)(OCc1cc(-c2cccc(OC3CC3)c2)n(n1)-c1ccccc1N1CCC1)C(O)=O
Show InChI InChI=1S/C26H29N3O4/c1-26(2,25(30)31)32-17-19-16-24(18-7-5-8-21(15-18)33-20-11-12-20)29(27-19)23-10-4-3-9-22(23)28-13-6-14-28/h3-5,7-10,15-16,20H,6,11-14,17H2,1-2H3,(H,30,31)
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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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356739
PNG
(US10214492, Example 109)
Show SMILES CC(C)COc1cccc(c1)-c1cc(COC(C)(C)C(O)=O)nn1Cc1ccccc1N(C)C
Show InChI InChI=1S/C27H35N3O4/c1-19(2)17-33-23-12-9-11-20(14-23)25-15-22(18-34-27(3,4)26(31)32)28-30(25)16-21-10-7-8-13-24(21)29(5)6/h7-15,19H,16-18H2,1-6H3,(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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356912
PNG
(US10214492, Example 263)
Show SMILES CC[C@@](C)(OCc1cc(-c2cccc(OCC(C)C)c2)n(n1)-c1cccc2nnn(C)c12)C(O)=O
Show InChI InChI=1S/C26H31N5O4/c1-6-26(4,25(32)33)35-16-19-14-23(18-9-7-10-20(13-18)34-15-17(2)3)31(28-19)22-12-8-11-21-24(22)30(5)29-27-21/h7-14,17H,6,15-16H2,1-5H3,(H,32,33)/t26-/m1/s1
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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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


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

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356862
PNG
(US10214492, Example 211)
Show SMILES CCOc1ccccc1Cn1nc(COC(C)(C)C(O)=O)cc1-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C25H30N2O6/c1-6-32-23-10-8-7-9-17(23)15-27-22(18-11-20(30-4)14-21(12-18)31-5)13-19(26-27)16-33-25(2,3)24(28)29/h7-14H,6,15-16H2,1-5H3,(H,28,29)
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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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


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

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356823
PNG
(US10214492, Example 178)
Show SMILES CC(C)(OCc1cc(-c2cccc(OCC3CCC3)c2)n(n1)-c1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C25H27ClN2O4/c1-25(2,24(29)30)32-16-19-14-23(28(27-19)22-12-4-3-11-21(22)26)18-9-6-10-20(13-18)31-15-17-7-5-8-17/h3-4,6,9-14,17H,5,7-8,15-16H2,1-2H3,(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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


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

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356732
PNG
(US10214492, Example 103)
Show SMILES CC(C)COc1cccc(c1)-c1cc(COC(C)(C)C(O)=O)nn1-c1ccccc1N(C)C
Show InChI InChI=1S/C26H33N3O4/c1-18(2)16-32-21-11-9-10-19(14-21)24-15-20(17-33-26(3,4)25(30)31)27-29(24)23-13-8-7-12-22(23)28(5)6/h7-15,18H,16-17H2,1-6H3,(H,30,31)
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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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356905
PNG
(US10214492, Example 256)
Show SMILES Cn1ncc2cccc(Cn3nc(COC(C)(C)C(O)=O)cc3-c3cccc(OCC(C)(C)C)c3)c12
Show InChI InChI=1S/C28H34N4O4/c1-27(2,3)18-35-23-12-8-9-19(13-23)24-14-22(17-36-28(4,5)26(33)34)30-32(24)16-21-11-7-10-20-15-29-31(6)25(20)21/h7-15H,16-18H2,1-6H3,(H,33,34)
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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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356783
PNG
(US10214492, Example 150)
Show SMILES CCn1ncc2ccc(cc12)-c1cc(COC(C)(C)C(O)=O)nn1Cc1ccccc1Cl
Show InChI InChI=1S/C24H25ClN4O3/c1-4-28-21-11-16(9-10-17(21)13-26-28)22-12-19(15-32-24(2,3)23(30)31)27-29(22)14-18-7-5-6-8-20(18)25/h5-13H,4,14-15H2,1-3H3,(H,30,31)
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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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356765
PNG
(US10214492, Example 129 | US10214492, Example 133)
Show SMILES CC(C)Oc1ccc(s1)-c1cc(COC(C)(C)C(O)=O)nn1Cc1ccccc1Cl
Show InChI InChI=1S/C22H25ClN2O4S/c1-14(2)29-20-10-9-19(30-20)18-11-16(13-28-22(3,4)21(26)27)24-25(18)12-15-7-5-6-8-17(15)23/h5-11,14H,12-13H2,1-4H3,(H,26,27)
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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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356825
PNG
(US10214492, Example 180)
Show SMILES CCOc1cc(OCC)cc(c1)-c1cc(COC(C)(C)C(O)=O)nn1-c1ccccc1Cl
Show InChI InChI=1S/C24H27ClN2O5/c1-5-30-18-11-16(12-19(14-18)31-6-2)22-13-17(15-32-24(3,4)23(28)29)26-27(22)21-10-8-7-9-20(21)25/h7-14H,5-6,15H2,1-4H3,(H,28,29)
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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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356895
PNG
(US10214492, Example 246)
Show SMILES CCCn1ncc2ccc(cc12)-c1cc(COC(C)(C)C(O)=O)nn1-c1ccccc1N1CCC1
Show InChI InChI=1S/C27H31N5O3/c1-4-12-31-24-15-19(10-11-20(24)17-28-31)25-16-21(18-35-27(2,3)26(33)34)29-32(25)23-9-6-5-8-22(23)30-13-7-14-30/h5-6,8-11,15-17H,4,7,12-14,18H2,1-3H3,(H,33,34)
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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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345315
PNG
(2-([1-[(2-methoxyphenyl)methyl]-5-[3-(2- methylpr...)
Show SMILES COc1ccccc1Cn1nc(COC(C)(C)C(O)=O)cc1-c1cccc(OCC(C)C)c1
Show InChI InChI=1S/C26H32N2O5/c1-18(2)16-32-22-11-8-10-19(13-22)23-14-21(17-33-26(3,4)25(29)30)27-28(23)15-20-9-6-7-12-24(20)31-5/h6-14,18H,15-17H2,1-5H3,(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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(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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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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356871
PNG
(US10214492, Example 221)
Show SMILES CC(C)(OCc1cc(-c2cccc(OC3CC3)c2)n(n1)-c1ccccc1N1CCCC1)C(O)=O
Show InChI InChI=1S/C27H31N3O4/c1-27(2,26(31)32)33-18-20-17-25(19-8-7-9-22(16-19)34-21-12-13-21)30(28-20)24-11-4-3-10-23(24)29-14-5-6-15-29/h3-4,7-11,16-17,21H,5-6,12-15,18H2,1-2H3,(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 ...


US Patent US10214492 (2019)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356796
PNG
(US10214492, Example 161)
Show SMILES Cc1ccccc1-n1nc(COC(C)(C)C(O)=O)cc1-c1cccc(OC2CCC2)c1
Show InChI InChI=1S/C25H28N2O4/c1-17-8-4-5-13-22(17)27-23(15-19(26-27)16-30-25(2,3)24(28)29)18-9-6-12-21(14-18)31-20-10-7-11-20/h4-6,8-9,12-15,20H,7,10-11,16H2,1-3H3,(H,28,29)
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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 ...


US Patent US10214492 (2019)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356730
PNG
(US10214492, Example 101)
Show SMILES CC(C)COc1cccc(c1)-c1cc(COC(C)(C)C(O)=O)nn1-c1ccccc1Cl
Show InChI InChI=1S/C24H27ClN2O4/c1-16(2)14-30-19-9-7-8-17(12-19)22-13-18(15-31-24(3,4)23(28)29)26-27(22)21-11-6-5-10-20(21)25/h5-13,16H,14-15H2,1-4H3,(H,28,29)
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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 ...


US Patent US10214492 (2019)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356848
PNG
(US10214492, Example 198)
Show SMILES CCOc1ccccc1Cn1nc(COC(C)(C)C(O)=O)cc1-c1ccc2cnn(CC)c2c1
Show InChI InChI=1S/C26H30N4O4/c1-5-29-22-13-18(11-12-19(22)15-27-29)23-14-21(17-34-26(3,4)25(31)32)28-30(23)16-20-9-7-8-10-24(20)33-6-2/h7-15H,5-6,16-17H2,1-4H3,(H,31,32)
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n/an/a 3.5n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356784
PNG
(US10214492, Example 151)
Show SMILES CCn1ncc2ccc(cc12)-c1cc(COC(C)(C)C(=O)O[Na])nn1Cc1ccccc1Cl
Show InChI InChI=1S/C24H25ClN4O3.Na/c1-4-28-21-11-16(9-10-17(21)13-26-28)22-12-19(15-32-24(2,3)23(30)31)27-29(22)14-18-7-5-6-8-20(18)25;/h5-13H,4,14-15H2,1-3H3,(H,30,31);/q;+1/p-1
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n/an/a 3.60n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345283
PNG
(2-[[1-[(2-Bromophenyl)methyl]-5-(3- isopropoxyphe...)
Show SMILES CC(C)Oc1cccc(c1)-c1cc(COC(C)(C)C(O)=O)nn1Cc1ccccc1Br
Show InChI InChI=1S/C24H27BrN2O4/c1-16(2)31-20-10-7-9-17(12-20)22-13-19(15-30-24(3,4)23(28)29)26-27(22)14-18-8-5-6-11-21(18)25/h5-13,16H,14-15H2,1-4H3,(H,28,29)
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n/an/a 3.70n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356887
PNG
(US10214492, Example 238)
Show SMILES CC(C)(OCc1cc(-c2cccc(OC3CCC3)c2)n(Cc2ccccc2N2CCCC2)n1)C(O)=O
Show InChI InChI=1S/C29H35N3O4/c1-29(2,28(33)34)35-20-23-18-27(21-10-7-13-25(17-21)36-24-11-8-12-24)32(30-23)19-22-9-3-4-14-26(22)31-15-5-6-16-31/h3-4,7,9-10,13-14,17-18,24H,5-6,8,11-12,15-16,19-20H2,1-2H3,(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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356872
PNG
(US10214492, Example 222)
Show SMILES CC[C@@](C)(OCc1cc(-c2cc(OC)cc(OC)c2)n(n1)-c1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C23H25ClN2O5/c1-5-23(2,22(27)28)31-14-16-12-21(15-10-17(29-3)13-18(11-15)30-4)26(25-16)20-9-7-6-8-19(20)24/h6-13H,5,14H2,1-4H3,(H,27,28)/t23-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356757
PNG
(US10214492, Example 121 | US10214492, Example 219)
Show SMILES CC[C@@](C)(OCc1cc(-c2cccc(OC)c2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C23H25ClN2O4/c1-4-23(2,22(27)28)30-15-18-13-21(16-9-7-10-19(12-16)29-3)26(25-18)14-17-8-5-6-11-20(17)24/h5-13H,4,14-15H2,1-3H3,(H,27,28)/t23-/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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356756
PNG
(US10214492, Example 120 | US10214492, Example 218)
Show SMILES CC[C@](C)(OCc1cc(-c2cccc(OC)c2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C23H25ClN2O4/c1-4-23(2,22(27)28)30-15-18-13-21(16-9-7-10-19(12-16)29-3)26(25-18)14-17-8-5-6-11-20(17)24/h5-13H,4,14-15H2,1-3H3,(H,27,28)/t23-/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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356874
PNG
(US10214492, Example 224)
Show SMILES COc1cc(OC)cc(c1)-c1cc(COC(C)(C)C(O)=O)nn1Cc1ccccc1Cl
Show InChI InChI=1S/C23H25ClN2O5/c1-23(2,22(27)28)31-14-17-11-21(16-9-18(29-3)12-19(10-16)30-4)26(25-17)13-15-7-5-6-8-20(15)24/h5-12H,13-14H2,1-4H3,(H,27,28)
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n/an/a 4.10n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%