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SMILES: OC(=O)CC(O)(CSCCCCCc1ccccc1-c1ccccc1)C(O)=O

InChI Key: InChIKey=UYSRTIVREXCPKD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50053005   
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)		BDBM50053005
PNG
(2-(5-Biphenyl-2-yl-pentylsulfanylmethyl)-2-hydroxy...)
Show SMILES OC(=O)CC(O)(CSCCCCCc1ccccc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H26O5S/c23-20(24)15-22(27,21(25)26)16-28-14-8-2-5-11-18-12-6-7-13-19(18)17-9-3-1-4-10-17/h1,3-4,6-7,9-10,12-13,27H,2,5,8,11,14-16H2,(H,23,24)(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 2.10E+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