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SMILES: OC(=O)CC(O)(CSCCCCCCc1cccc(Cl)c1)C(O)=O

InChI Key: InChIKey=VNHFSRKVNYVZQK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50052978   
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)		BDBM50052978
PNG
(2-[6-(3-Chloro-phenyl)-hexylsulfanylmethyl]-2-hydr...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C17H23ClO5S/c18-14-8-5-7-13(10-14)6-3-1-2-4-9-24-12-17(23,16(21)22)11-15(19)20/h5,7-8,10,23H,1-4,6,9,11-12H2,(H,19,20)(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.50E+5n/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