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PubMed code 25068893

Compile data set for download or QSAR
Found 8 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


(Homo sapiens (Human))
BDBM22000
PNG
(7-[(3-hydroxypropyl)sulfanyl]-2-methyl-4-(2-methyl...)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc12
Show InChI InChI=1S/C25H29N3O2S/c1-17(2)14-22-21-16-28(15-19-10-6-9-18-8-4-5-11-20(18)19)25(31-13-7-12-29)23(21)24(30)27(3)26-22/h4-6,8-11,16-17,29H,7,12-15H2,1-3H3
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Article
PubMed
n/an/a 105n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...


J Med Chem 57: 7317-24 (2014)


Article DOI: 10.1021/jm500640x
BindingDB Entry DOI: 10.7270/Q2F76F6D
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM50055506
PNG
(CHEMBL3326270)
Show SMILES CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(\C=C/CCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C27H30N4O3/c1-18(2)17-31-25-24(26(33)30(3)27(31)34)28-22(14-5-4-8-15-32)23(29-25)16-20-12-9-11-19-10-6-7-13-21(19)20/h5-7,9-14,18,32H,4,8,15-17H2,1-3H3/b14-5-
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PubMed
n/an/a 116n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...


J Med Chem 57: 7317-24 (2014)


Article DOI: 10.1021/jm500640x
BindingDB Entry DOI: 10.7270/Q2F76F6D
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM50055505
PNG
(CHEMBL3326265)
Show SMILES CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C27H32N4O3/c1-18(2)17-31-25-24(26(33)30(3)27(31)34)28-22(14-5-4-8-15-32)23(29-25)16-20-12-9-11-19-10-6-7-13-21(19)20/h6-7,9-13,18,32H,4-5,8,14-17H2,1-3H3
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PubMed
n/an/a 192n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...


J Med Chem 57: 7317-24 (2014)


Article DOI: 10.1021/jm500640x
BindingDB Entry DOI: 10.7270/Q2F76F6D
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM50055500
PNG
(CHEMBL3326256)
Show SMILES CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(=O)n(CCCCO)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H30N4O4/c1-17(2)16-30-23-22(25(33)28(3)26(30)34)29(13-6-7-14-31)24(32)21(27-23)15-19-11-8-10-18-9-4-5-12-20(18)19/h4-5,8-12,17,31H,6-7,13-16H2,1-3H3
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n/an/a 548n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...


J Med Chem 57: 7317-24 (2014)


Article DOI: 10.1021/jm500640x
BindingDB Entry DOI: 10.7270/Q2F76F6D
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM50055503
PNG
(CHEMBL3326259)
Show SMILES CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(SCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H30N4O3S/c1-17(2)16-30-23-22(25(32)29(3)26(30)33)28-24(34-14-7-6-13-31)21(27-23)15-19-11-8-10-18-9-4-5-12-20(18)19/h4-5,8-12,17,31H,6-7,13-16H2,1-3H3
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PubMed
n/an/a 669n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...


J Med Chem 57: 7317-24 (2014)


Article DOI: 10.1021/jm500640x
BindingDB Entry DOI: 10.7270/Q2F76F6D
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM50055502
PNG
(CHEMBL3326252)
Show SMILES CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(SCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C25H28N4O3S/c1-16(2)15-29-22-21(24(31)28(3)25(29)32)27-23(33-13-7-12-30)20(26-22)14-18-10-6-9-17-8-4-5-11-19(17)18/h4-6,8-11,16,30H,7,12-15H2,1-3H3
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PubMed
n/an/a 858n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...


J Med Chem 57: 7317-24 (2014)


Article DOI: 10.1021/jm500640x
BindingDB Entry DOI: 10.7270/Q2F76F6D
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM50055501
PNG
(CHEMBL3326257)
Show SMILES CCCn1c2c(nc(Cc3cccc4ccccc34)c1=O)n(CC(C)C)c(=O)n(C)c2=O
Show InChI InChI=1S/C25H28N4O3/c1-5-13-28-21-22(29(15-16(2)3)25(32)27(4)24(21)31)26-20(23(28)30)14-18-11-8-10-17-9-6-7-12-19(17)18/h6-12,16H,5,13-15H2,1-4H3
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PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...


J Med Chem 57: 7317-24 (2014)


Article DOI: 10.1021/jm500640x
BindingDB Entry DOI: 10.7270/Q2F76F6D
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM50055504
PNG
(CHEMBL3326264)
Show SMILES CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(CCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H30N4O3/c1-17(2)16-30-24-23(25(32)29(3)26(30)33)27-21(13-6-7-14-31)22(28-24)15-19-11-8-10-18-9-4-5-12-20(18)19/h4-5,8-12,17,31H,6-7,13-16H2,1-3H3
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PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...


J Med Chem 57: 7317-24 (2014)


Article DOI: 10.1021/jm500640x
BindingDB Entry DOI: 10.7270/Q2F76F6D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%