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SMILES: OC(=O)CC(O)(CSCCCCCCc1c(Cl)cc(Cl)cc1-c1ccccc1)C(O)=O

InChI Key: InChIKey=QDBZMJQEJRXJKZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50053029   
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
ATP-citrate synthase


(Rattus norvegicus)		BDBM50053029
PNG
(2-[6-(3,5-Dichloro-biphenyl-2-yl)-hexylsulfanylmet...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1c(Cl)cc(Cl)cc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H26Cl2O5S/c24-17-12-19(16-8-4-3-5-9-16)18(20(25)13-17)10-6-1-2-7-11-31-15-23(30,22(28)29)14-21(26)27/h3-5,8-9,12-13,30H,1-2,6-7,10-11,14-15H2,(H,26,27)(H,28,29)
PDB
MMDB

KEGG

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KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.00E+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)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair