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BDBM50404712 CHEMBL1161215

SMILES: OC(=O)c1cnc2cc(ccc2c1O)S(O)(=O)=O

InChI Key: InChIKey=RJBZLMIRRDZOGV-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 = 50404712   
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))
BDBM50404712
PNG
(CHEMBL1161215)
Show SMILES OC(=O)c1cnc2cc(ccc2c1O)S(O)(=O)=O
Show InChI InChI=1S/C10H7NO6S/c12-9-6-2-1-5(18(15,16)17)3-8(6)11-4-7(9)10(13)14/h1-4H,(H,11,12)(H,13,14)(H,15,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.09E+6n/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))
BDBM50404712
PNG
(CHEMBL1161215)
Show SMILES OC(=O)c1cnc2cc(ccc2c1O)S(O)(=O)=O
Show InChI InChI=1S/C10H7NO6S/c12-9-6-2-1-5(18(15,16)17)3-8(6)11-4-7(9)10(13)14/h1-4H,(H,11,12)(H,13,14)(H,15,16,17)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.14E+6n/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