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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 402.8
BDBM345266

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 11 hits in this display   
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))
BDBM345266
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-(3- fluorophenyl...)
Show SMILES CC(C)(OCc1cc(-c2cccc(F)c2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20ClFN2O3/c1-21(2,20(26)27)28-13-17-11-19(14-7-5-8-16(23)10-14)25(24-17)12-15-6-3-4-9-18(15)22/h3-11H,12-13H2,1-2H3,(H,26,27)
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n/an/a 38n/an/an/an/an/an/a


TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM345266
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-(3- fluorophenyl...)
Show SMILES CC(C)(OCc1cc(-c2cccc(F)c2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20ClFN2O3/c1-21(2,20(26)27)28-13-17-11-19(14-7-5-8-16(23)10-14)25(24-17)12-15-6-3-4-9-18(15)22/h3-11H,12-13H2,1-2H3,(H,26,27)
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PC cid
PC sid
UniChem
US Patent
n/an/a 38n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10202350 (2019)


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


(Homo sapiens (Human))
BDBM345266
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-(3- fluorophenyl...)
Show SMILES CC(C)(OCc1cc(-c2cccc(F)c2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20ClFN2O3/c1-21(2,20(26)27)28-13-17-11-19(14-7-5-8-16(23)10-14)25(24-17)12-15-6-3-4-9-18(15)22/h3-11H,12-13H2,1-2H3,(H,26,27)
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US Patent
n/an/a 38n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring t...


US Patent US10214492 (2019)


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


(Homo sapiens (Human))
BDBM345266
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-(3- fluorophenyl...)
Show SMILES CC(C)(OCc1cc(-c2cccc(F)c2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20ClFN2O3/c1-21(2,20(26)27)28-13-17-11-19(14-7-5-8-16(23)10-14)25(24-17)12-15-6-3-4-9-18(15)22/h3-11H,12-13H2,1-2H3,(H,26,27)
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n/an/a 49n/an/an/an/an/an/a


TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM345266
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-(3- fluorophenyl...)
Show SMILES CC(C)(OCc1cc(-c2cccc(F)c2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20ClFN2O3/c1-21(2,20(26)27)28-13-17-11-19(14-7-5-8-16(23)10-14)25(24-17)12-15-6-3-4-9-18(15)22/h3-11H,12-13H2,1-2H3,(H,26,27)
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 49n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
NCI-H358 lung adenocarcinoma cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known...


US Patent US10214492 (2019)


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


(Homo sapiens (Human))
BDBM345266
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-(3- fluorophenyl...)
Show SMILES CC(C)(OCc1cc(-c2cccc(F)c2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20ClFN2O3/c1-21(2,20(26)27)28-13-17-11-19(14-7-5-8-16(23)10-14)25(24-17)12-15-6-3-4-9-18(15)22/h3-11H,12-13H2,1-2H3,(H,26,27)
Reactome pathway
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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 49n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
NCI-H358 lung adenocarcinoma cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known...


US Patent US10202350 (2019)


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


(Homo sapiens (Human))
BDBM345266
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-(3- fluorophenyl...)
Show SMILES CC(C)(OCc1cc(-c2cccc(F)c2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20ClFN2O3/c1-21(2,20(26)27)28-13-17-11-19(14-7-5-8-16(23)10-14)25(24-17)12-15-6-3-4-9-18(15)22/h3-11H,12-13H2,1-2H3,(H,26,27)
Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 49n/an/an/an/an/an/a


TBA

Assay Description
NCI-H358 lung adenocarcinoma cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345266
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-(3- fluorophenyl...)
Show SMILES CC(C)(OCc1cc(-c2cccc(F)c2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20ClFN2O3/c1-21(2,20(26)27)28-13-17-11-19(14-7-5-8-16(23)10-14)25(24-17)12-15-6-3-4-9-18(15)22/h3-11H,12-13H2,1-2H3,(H,26,27)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.80E+4n/an/an/an/an/an/a


TBA

Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2862KNG
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345266
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-(3- fluorophenyl...)
Show SMILES CC(C)(OCc1cc(-c2cccc(F)c2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20ClFN2O3/c1-21(2,20(26)27)28-13-17-11-19(14-7-5-8-16(23)10-14)25(24-17)12-15-6-3-4-9-18(15)22/h3-11H,12-13H2,1-2H3,(H,26,27)
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
n/an/a 5.80E+4n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2CR5ZGC
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))
BDBM345266
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-(3- fluorophenyl...)
Show SMILES CC(C)(OCc1cc(-c2cccc(F)c2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20ClFN2O3/c1-21(2,20(26)27)28-13-17-11-19(14-7-5-8-16(23)10-14)25(24-17)12-15-6-3-4-9-18(15)22/h3-11H,12-13H2,1-2H3,(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.80E+4n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10202350 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BPB
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM345266
PNG
(2-[[1-[(2-Chlorophenyl)methyl]-5-(3- fluorophenyl...)
Show SMILES CC(C)(OCc1cc(-c2cccc(F)c2)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20ClFN2O3/c1-21(2,20(26)27)28-13-17-11-19(14-7-5-8-16(23)10-14)25(24-17)12-15-6-3-4-9-18(15)22/h3-11H,12-13H2,1-2H3,(H,26,27)
PDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.80E+4n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


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