BindingDB logo
myBDB logout

BDBM50092070 CHEMBL3582421::US9296728, 15

InChI string: InChI=1S/C18H14Cl2N2O4/c1-9(23)15-6-11-10(4-5-14(25-3)17(11)26-15)18(24)22(2)16-12(19)7-21-8-13(16)20/h4-8H,1-3H3

SMILES: CCCCCN(CCCCC)c1ccc(\C=C(/C#N)C(O)=O)c(OC)c1

InChI Key: InChIKey=FBVRPENWLNLGLG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50092070   
Target
(Institution)
LigandTarget
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 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM50092070
PNG
(CHEMBL3582421 | US9296728, 15)
Show SMILES CCCCCN(CCCCC)c1ccc(\C=C(/C#N)C(O)=O)c(OC)c1
Show InChI InChI=1S/C18H14Cl2N2O4/c1-9(23)15-6-11-10(4-5-14(25-3)17(11)26-15)18(24)22(2)16-12(19)7-21-8-13(16)20/h4-8H,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 23n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Monocarboxylate transporter 1 (MCT1)


(Rattus norvegicus (Rat))
BDBM50092070
PNG
(CHEMBL3582421 | US9296728, 15)
Show SMILES CCCCCN(CCCCC)c1ccc(\C=C(/C#N)C(O)=O)c(OC)c1
Show InChI InChI=1S/C18H14Cl2N2O4/c1-9(23)15-6-11-10(4-5-14(25-3)17(11)26-15)18(24)22(2)16-12(19)7-21-8-13(16)20/h4-8H,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Medical School Duluth

Curated by ChEMBL


Assay Description
Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay


ACS Med Chem Lett 6: 558-61 (2015)

More data for this
Ligand-Target Pair