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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monocarboxylate transporter 1' and Ligand = 'BDBM50442702'   
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


(Rattus norvegicus (Rat))
BDBM50442702
PNG
(CHEMBL2442511 | US9296728, 26)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N1CCCC1
Show InChI InChI=1S/C14H13NO4/c16-13(17)11-7-9-3-4-10(15-5-1-2-6-15)8-12(9)19-14(11)18/h3-4,7-8H,1-2,5-6H2,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 220n/an/an/an/a7.4337



Regents of the University of Minnesota

US Patent


Assay Description
The entire lactate uptake studies for the inhibition of MCT1 were carried out on RBE4 (Rat Brain Endothelial 4) cells. The expression of MCT1 on thes...


US Patent US9296728 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M5R
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Rattus norvegicus (Rat))
BDBM50442702
PNG
(CHEMBL2442511 | US9296728, 26)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N1CCCC1
Show InChI InChI=1S/C14H13NO4/c16-13(17)11-7-9-3-4-10(15-5-1-2-6-15)8-12(9)19-14(11)18/h3-4,7-8H,1-2,5-6H2,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of MCT1 in rat brain endothelial 4 cells assessed as L-[14C]-Lactate Uptake after 15 mins by scintillation spectrometric analysis


Bioorg Med Chem Lett 26: 3282-3286 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.054
BindingDB Entry DOI: 10.7270/Q2BP04QP
More data for this
Ligand-Target Pair