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Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-citrate synthase' and Ligand = 'BDBM50052993'   
Target
(Institution)
LigandTarget
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
ATP-citrate synthase


(Rattus norvegicus)
BDBM50052993
PNG
(2-Hydroxy-2-(6-naphthalen-1-yl-hexylsulfanylmethyl...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1cccc2ccccc12)C(O)=O
Show InChI InChI=1S/C21H26O5S/c22-19(23)14-21(26,20(24)25)15-27-13-6-2-1-3-8-16-10-7-11-17-9-4-5-12-18(16)17/h4-5,7,9-12,26H,1-3,6,8,13-15H2,(H,22,23)(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
6.30E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant ATP-Citrate Lyase activity as maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH


J Med Chem 39: 3569-84 (1996)

More data for this
Ligand-Target Pair