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BDBM345263 2-[[5-(2-Chlorophenyl)-1-[(2- chlorophenyl)methyl]pyrazol-3- yl]methoxy]-2-methyl-propanoic acid 1H NMR (CD3OD, 400 MHz) $#948; 1.53 (s, 6H), 4.58 (s, 2H), 5.28 (s, 2H), 6.43 (s, 1H), 6.78-7.81 (m, 1H), 7.16-34 (m, 5H), 7.38- 7.42 (m, 1H), 7.50-7.56 (m, 1H).::US10202350, Example 9::US10214492, Example 9

SMILES: CC(C)(OCc1cc(-c2ccccc2Cl)n(Cc2ccccc2Cl)n1)C(O)=O

InChI Key: InChIKey=WJTWNXAITZFXSZ-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 345263   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345263
PNG
(2-[[5-(2-Chlorophenyl)-1-[(2- chlorophenyl)methyl...)
Show SMILES CC(C)(OCc1cc(-c2ccccc2Cl)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20Cl2N2O3/c1-21(2,20(26)27)28-13-15-11-19(16-8-4-6-10-18(16)23)25(24-15)12-14-7-3-5-9-17(14)22/h3-11H,12-13H2,1-2H3,(H,26,27)
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PC cid
PC sid
UniChem
US Patent
n/an/a 320n/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))
BDBM345263
PNG
(2-[[5-(2-Chlorophenyl)-1-[(2- chlorophenyl)methyl...)
Show SMILES CC(C)(OCc1cc(-c2ccccc2Cl)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20Cl2N2O3/c1-21(2,20(26)27)28-13-15-11-19(16-8-4-6-10-18(16)23)25(24-15)12-14-7-3-5-9-17(14)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 sid
UniChem
US Patent
n/an/a 340n/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 1


(Homo sapiens (Human))
BDBM345263
PNG
(2-[[5-(2-Chlorophenyl)-1-[(2- chlorophenyl)methyl...)
Show SMILES CC(C)(OCc1cc(-c2ccccc2Cl)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20Cl2N2O3/c1-21(2,20(26)27)28-13-15-11-19(16-8-4-6-10-18(16)23)25(24-15)12-14-7-3-5-9-17(14)22/h3-11H,12-13H2,1-2H3,(H,26,27)
PDB

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n/an/a 3.90E+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
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM345263
PNG
(2-[[5-(2-Chlorophenyl)-1-[(2- chlorophenyl)methyl...)
Show SMILES CC(C)(OCc1cc(-c2ccccc2Cl)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20Cl2N2O3/c1-21(2,20(26)27)28-13-15-11-19(16-8-4-6-10-18(16)23)25(24-15)12-14-7-3-5-9-17(14)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 320n/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))
BDBM345263
PNG
(2-[[5-(2-Chlorophenyl)-1-[(2- chlorophenyl)methyl...)
Show SMILES CC(C)(OCc1cc(-c2ccccc2Cl)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20Cl2N2O3/c1-21(2,20(26)27)28-13-15-11-19(16-8-4-6-10-18(16)23)25(24-15)12-14-7-3-5-9-17(14)22/h3-11H,12-13H2,1-2H3,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 340n/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
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))
BDBM345263
PNG
(2-[[5-(2-Chlorophenyl)-1-[(2- chlorophenyl)methyl...)
Show SMILES CC(C)(OCc1cc(-c2ccccc2Cl)n(Cc2ccccc2Cl)n1)C(O)=O
Show InChI InChI=1S/C21H20Cl2N2O3/c1-21(2,20(26)27)28-13-15-11-19(16-8-4-6-10-18(16)23)25(24-15)12-14-7-3-5-9-17(14)22/h3-11H,12-13H2,1-2H3,(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90E+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