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SMILES: OC(=O)CC(O)(CSCCCCCCc1ccc(cc1)C(O)=O)C(O)=O

InChI Key: InChIKey=VHFIHZDZXHMYGZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50052990   
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)		BDBM50052990
PNG
(2-[6-(4-Carboxy-phenyl)-hexylsulfanylmethyl]-2-hyd...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H24O7S/c19-15(20)11-18(25,17(23)24)12-26-10-4-2-1-3-5-13-6-8-14(9-7-13)16(21)22/h6-9,25H,1-5,10-12H2,(H,19,20)(H,21,22)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.20E+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