new BindingDB logo
myBDB logout

BDBM50404717 CHEMBL157654

SMILES: OC(=O)c1cnc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c1O

InChI Key: InChIKey=QGRLTELZHPGGLW-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50404717   
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, mitochondrial


(Sus scrofa (pig))
BDBM50404717
PNG
(CHEMBL157654)
Show SMILES OC(=O)c1cnc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c1O
Show InChI InChI=1S/C17H11Cl2NO4/c18-13-4-1-9(5-14(13)19)8-24-10-2-3-11-15(6-10)20-7-12(16(11)21)17(22)23/h1-7H,8H2,(H,20,21)(H,22,23)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.79E+3n/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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
More data for this
Ligand-Target Pair