new BindingDB logo
myBDB logout

BDBM50404706 CHEMBL160792

SMILES: OC(=O)c1cnc2cc(OCc3ccc(Br)cc3)ccc2c1O

InChI Key: InChIKey=SWTMBXHEWHOJEQ-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 = 50404706   
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))
BDBM50404706
PNG
(CHEMBL160792)
Show SMILES OC(=O)c1cnc2cc(OCc3ccc(Br)cc3)ccc2c1O
Show InChI InChI=1S/C17H12BrNO4/c18-11-3-1-10(2-4-11)9-23-12-5-6-13-15(7-12)19-8-14(16(13)20)17(21)22/h1-8H,9H2,(H,19,20)(H,21,22)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.76E+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