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Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'potter' and Initial = 'tj'   
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


(Homo sapiens (Human))
BDBM21995
PNG
(5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...)
Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C23H24F3N3O5S/c1-12(2)9-28-21-18(19(31)27(3)22(28)33)17(20(32)29-10-14(30)11-34-29)16(35-21)8-13-6-4-5-7-15(13)23(24,25)26/h4-7,12,14,30H,8-11H2,1-3H3/t14-/m0/s1
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PubMed
0.0900 -56.8n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM21992
PNG
(5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-meth...)
Show SMILES CC(C)Cn1c2sc(Oc3cccc4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C26H27N3O5S/c1-15(2)13-29-24-20(22(31)27(3)26(29)33)21(23(32)28-12-11-17(30)14-28)25(35-24)34-19-10-6-8-16-7-4-5-9-18(16)19/h4-10,15,17,30H,11-14H2,1-3H3/t17-/m1/s1
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PubMed
0.310 -53.7n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM21996
PNG
(5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...)
Show SMILES CC(C)Cn1c2sc(Cc3c[nH]c4ncccc34)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C23H25N5O5S/c1-12(2)9-27-22-18(20(30)26(3)23(27)32)17(21(31)28-10-14(29)11-33-28)16(34-22)7-13-8-25-19-15(13)5-4-6-24-19/h4-6,8,12,14,29H,7,9-11H2,1-3H3,(H,24,25)/t14-/m0/s1
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PubMed
0.430 -52.9n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM21994
PNG
(5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...)
Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C25H26N4O5S/c1-14(2)11-28-24-21(22(31)27(3)25(28)33)20(23(32)29-12-16(30)13-34-29)19(35-24)10-15-8-9-26-18-7-5-4-6-17(15)18/h4-9,14,16,30H,10-13H2,1-3H3/t16-/m0/s1
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Article
PubMed
0.520 -52.5n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM21987
PNG
(6-[(6-fluoroquinolin-4-yl)methyl]-5-{[(3R)-3-hydro...)
Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccc(F)cc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C26H27FN4O4S/c1-14(2)12-31-25-22(23(33)29(3)26(31)35)21(24(34)30-9-7-17(32)13-30)20(36-25)10-15-6-8-28-19-5-4-16(27)11-18(15)19/h4-6,8,11,14,17,32H,7,9-10,12-13H2,1-3H3/t17-/m1/s1
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Article
PubMed
0.810 -51.4n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM21998
PNG
(6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-{[(4S)-...)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C21H27N5O5S/c1-10(2)7-25-20-17(18(28)24(5)21(25)30)16(19(29)26-8-13(27)9-31-26)15(32-20)6-14-11(3)22-23-12(14)4/h10,13,27H,6-9H2,1-5H3,(H,22,23)/t13-/m0/s1
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Article
PubMed
1.20 -50.4n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM21997
PNG
(5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...)
Show SMILES CNc1nc2ccccc2n1Cc1sc2n(CC(C)C)c(=O)n(C)c(=O)c2c1C(=O)N1C[C@H](O)CO1 |r|
Show InChI InChI=1S/C24H28N6O5S/c1-13(2)9-29-22-19(20(32)27(4)24(29)34)18(21(33)30-10-14(31)12-35-30)17(36-22)11-28-16-8-6-5-7-15(16)26-23(28)25-3/h5-8,13-14,31H,9-12H2,1-4H3,(H,25,26)/t14-/m0/s1
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Article
PubMed
1.70 -49.6n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM21993
PNG
(6-[(4,5-dichloro-2-methyl-1H-imidazol-1-yl)methyl]...)
Show SMILES CON(C)C(=O)c1c(Cn2c(C)nc(Cl)c2Cl)sc2n(CC(C)C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C19H23Cl2N5O4S/c1-9(2)7-26-18-13(16(27)23(4)19(26)29)12(17(28)24(5)30-6)11(31-18)8-25-10(3)22-14(20)15(25)21/h9H,7-8H2,1-6H3
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Article
PubMed
3.20 -48.0n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM21985
PNG
(5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-meth...)
Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C26H28N4O4S/c1-15(2)13-30-25-22(23(32)28(3)26(30)34)21(24(33)29-11-9-17(31)14-29)20(35-25)12-16-8-10-27-19-7-5-4-6-18(16)19/h4-8,10,15,17,31H,9,11-14H2,1-3H3/t17-/m1/s1
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Article
PubMed
4.80 -47.0n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM21991
PNG
(5-{[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]carbonyl}...)
Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3C[C@H](O)[C@H](O)C3)c2c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C26H28N4O5S/c1-14(2)11-30-25-22(23(33)28(3)26(30)35)21(24(34)29-12-18(31)19(32)13-29)20(36-25)10-15-8-9-27-17-7-5-4-6-16(15)17/h4-9,14,18-19,31-32H,10-13H2,1-3H3/t18-,19+
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PubMed
29 -42.6n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM21990
PNG
(5-(azetidin-1-ylcarbonyl)-3-methyl-6-{[2-(methylam...)
Show SMILES CNc1nc2ccccc2n1Cc1sc2n(CC(C)C)c(=O)n(C)c(=O)c2c1C(=O)N1CCC1
Show InChI InChI=1S/C24H28N6O3S/c1-14(2)12-30-22-19(20(31)27(4)24(30)33)18(21(32)28-10-7-11-28)17(34-22)13-29-16-9-6-5-8-15(16)26-23(29)25-3/h5-6,8-9,14H,7,10-13H2,1-4H3,(H,25,26)
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PubMed
59 -40.8n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM21988
PNG
(N,N,3-trimethyl-2,4-dioxo-1-(propan-2-yl)-6-{[2-(t...)
Show SMILES CC(C)n1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N(C)C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C21H22F3N3O3S/c1-11(2)27-19-16(18(29)26(5)20(27)30)15(17(28)25(3)4)14(31-19)10-12-8-6-7-9-13(12)21(22,23)24/h6-9,11H,10H2,1-5H3
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PubMed
117 -39.2n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM21989
PNG
(3-{[3-methyl-2,4-dioxo-1-(propan-2-yl)-6-{[2-(trif...)
Show SMILES CC(C)n1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H22F3N3O5S2/c1-12(2)28-20-17(18(29)26(3)21(28)31)16(19(30)27-8-9-35(32,33)11-27)15(34-20)10-13-6-4-5-7-14(13)22(23,24)25/h4-7,12H,8-11H2,1-3H3
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PubMed
>190>-38.0n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair