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SMILES: OC(=O)CC(O)(CSCCCCCNc1ccc(Cl)cc1Cl)C(O)=O

InChI Key: InChIKey=BCWRTWBLBWGDPZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50052991   
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)		BDBM50052991
PNG
(2-[5-(2,4-Dichloro-phenylamino)-pentylsulfanylmeth...)
Show SMILES OC(=O)CC(O)(CSCCCCCNc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C16H21Cl2NO5S/c17-11-4-5-13(12(18)8-11)19-6-2-1-3-7-25-10-16(24,15(22)23)9-14(20)21/h4-5,8,19,24H,1-3,6-7,9-10H2,(H,20,21)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
 1.20E+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