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BDBM50404727 CHEMBL138298

SMILES: CN(C)c1ccc2c(O)c(cnc2c1)C(O)=O

InChI Key: InChIKey=UYNVFMKDZZRMFT-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 = 50404727   
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
Malate dehydrogenase cytoplasmic


(Sus scrofa (pig))
BDBM50404727
PNG
(CHEMBL138298)
Show SMILES CN(C)c1ccc2c(O)c(cnc2c1)C(O)=O
Show InChI InChI=1S/C12H12N2O3/c1-14(2)7-3-4-8-10(5-7)13-6-9(11(8)15)12(16)17/h3-6H,1-2H3,(H,13,15)(H,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.72E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit cytoplasmic malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50404727
PNG
(CHEMBL138298)
Show SMILES CN(C)c1ccc2c(O)c(cnc2c1)C(O)=O
Show InChI InChI=1S/C12H12N2O3/c1-14(2)7-3-4-8-10(5-7)13-6-9(11(8)15)12(16)17/h3-6H,1-2H3,(H,13,15)(H,16,17)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.79E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mitochondrial malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair