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SMILES: OC(=O)CC(O)(CSCCCCCCc1ccc(cc1)-c1ccccc1)C(O)=O

InChI Key: InChIKey=LJAJLOCYYSMBMX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50053014   
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)		BDBM50053014
PNG
(2-(6-Biphenyl-4-yl-hexylsulfanylmethyl)-2-hydroxy-...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H28O5S/c24-21(25)16-23(28,22(26)27)17-29-15-7-2-1-4-8-18-11-13-20(14-12-18)19-9-5-3-6-10-19/h3,5-6,9-14,28H,1-2,4,7-8,15-17H2,(H,24,25)(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.80E+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