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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Monocarboxylate transporter 1' and Ligand = 'BDBM345285'   
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))
BDBM345285
PNG
(2-[[1-[(2-Isopropylphenyl)methyl]-5-(3- methoxyph...)
Show SMILES COc1cccc(c1)-c1cc(COC(C)(C)C(O)=O)nn1Cc1ccccc1C(C)C
Show InChI InChI=1S/C25H30N2O4/c1-17(2)22-12-7-6-9-19(22)15-27-23(18-10-8-11-21(13-18)30-5)14-20(26-27)16-31-25(3,4)24(28)29/h6-14,17H,15-16H2,1-5H3,(H,28,29)
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PC cid
PC sid
UniChem
US Patent
n/an/a 4.20E+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 1


(Homo sapiens (Human))
BDBM345285
PNG
(2-[[1-[(2-Isopropylphenyl)methyl]-5-(3- methoxyph...)
Show SMILES COc1cccc(c1)-c1cc(COC(C)(C)C(O)=O)nn1Cc1ccccc1C(C)C
Show InChI InChI=1S/C25H30N2O4/c1-17(2)22-12-7-6-9-19(22)15-27-23(18-10-8-11-21(13-18)30-5)14-20(26-27)16-31-25(3,4)24(28)29/h6-14,17H,15-16H2,1-5H3,(H,28,29)
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PC cid
PC sid
UniChem
n/an/a 4.20E+4n/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 1


(Homo sapiens (Human))
BDBM345285
PNG
(2-[[1-[(2-Isopropylphenyl)methyl]-5-(3- methoxyph...)
Show SMILES COc1cccc(c1)-c1cc(COC(C)(C)C(O)=O)nn1Cc1ccccc1C(C)C
Show InChI InChI=1S/C25H30N2O4/c1-17(2)22-12-7-6-9-19(22)15-27-23(18-10-8-11-21(13-18)30-5)14-20(26-27)16-31-25(3,4)24(28)29/h6-14,17H,15-16H2,1-5H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.20E+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