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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 398.4
BDBM214697

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

Found 3 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 1


(Rattus norvegicus (Rat))
BDBM214697
PNG
(US9296728, 19)
Show SMILES COc1cc(ccc1\C=C(/C#N)C(O)=O)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C25H22N2O3/c1-30-24-15-23(13-12-21(24)14-22(16-26)25(28)29)27(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-15H,17-18H2,1H3,(H,28,29)/b22-14+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 19n/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 4


(Homo sapiens (Human))
BDBM214697
PNG
(US9296728, 19)
Show SMILES COc1cc(ccc1\C=C(/C#N)C(O)=O)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C25H22N2O3/c1-30-24-15-23(13-12-21(24)14-22(16-26)25(28)29)27(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-15H,17-18H2,1H3,(H,28,29)/b22-14+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 32n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM214697
PNG
(US9296728, 19)
Show SMILES COc1cc(ccc1\C=C(/C#N)C(O)=O)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C25H22N2O3/c1-30-24-15-23(13-12-21(24)14-22(16-26)25(28)29)27(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-15H,17-18H2,1H3,(H,28,29)/b22-14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 37n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair