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SMILES: OC(=O)CCCSCCCCCCc1ccc(Cl)cc1Cl

InChI Key: InChIKey=MULKPOLTBSDJDV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50053011   
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)		BDBM50053011
PNG
(4-[6-(2,4-Dichloro-phenyl)-hexylsulfanyl]-butyric ...)
Show SMILES OC(=O)CCCSCCCCCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H22Cl2O2S/c17-14-9-8-13(15(18)12-14)6-3-1-2-4-10-21-11-5-7-16(19)20/h8-9,12H,1-7,10-11H2,(H,19,20)
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.50E+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)


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