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BDBM50053002 2-[6-(2,6-Dichloro-phenyl)-hexylsulfanylmethyl]-2-hydroxy-succinic acid::CHEMBL332398

InChI string: InChI=1S/C17H22Cl2O5S/c18-13-7-5-8-14(19)12(13)6-3-1-2-4-9-25-11-17(24,16(22)23)10-15(20)21/h5,7-8,24H,1-4,6,9-11H2,(H,20,21)(H,22,23)

SMILES: OC(=O)CC(O)(CSCCCCCCc1c(Cl)cccc1Cl)C(O)=O

InChI Key: InChIKey=FSCMYMQZMXVZDA-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50053002   
Target
(Institution)
LigandTarget
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
ATP-citrate synthase


(Rattus norvegicus)
BDBM50053002
PNG
(2-[6-(2,6-Dichloro-phenyl)-hexylsulfanylmethyl]-2-...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1c(Cl)cccc1Cl)C(O)=O
Show InChI InChI=1S/C17H22Cl2O5S/c18-13-7-5-8-14(19)12(13)6-3-1-2-4-9-25-11-17(24,16(22)23)10-15(20)21/h5,7-8,24H,1-4,6,9-11H2,(H,20,21)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
7.60E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


J Med Chem 39: 3569-84 (1996)

More data for this
Ligand-Target Pair