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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Malate dehydrogenase cytoplasmic' and Ligand = 'BDBM50404702'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Malate dehydrogenase cytoplasmic


(Sus scrofa (pig))
BDBM50404702
PNG
(CHEMBL160429)
Show SMILES OC(=O)c1cnc2cc(OCCOc3ccc(Oc4ccccc4)cc3)ccc2c1O
Show InChI InChI=1S/C24H19NO6/c26-23-20-11-10-19(14-22(20)25-15-21(23)24(27)28)30-13-12-29-16-6-8-18(9-7-16)31-17-4-2-1-3-5-17/h1-11,14-15H,12-13H2,(H,25,26)(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.13E+4n/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