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BDBM50053007 2-[7-(2,4-Dichloro-phenyl)-2-oxo-heptyl]-2-hydroxy-succinic acid::CHEMBL422789

InChI string: InChI=1S/C17H20Cl2O6/c18-12-7-6-11(14(19)8-12)4-2-1-3-5-13(20)9-17(25,16(23)24)10-15(21)22/h6-8,25H,1-5,9-10H2,(H,21,22)(H,23,24)

SMILES: OC(=O)CC(O)(CC(=O)CCCCCc1ccc(Cl)cc1Cl)C(O)=O

InChI Key: InChIKey=MQMYPPFSSSYPDG-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50053007   
Target
(Institution)
LigandTarget
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)
BDBM50053007
PNG
(2-[7-(2,4-Dichloro-phenyl)-2-oxo-heptyl]-2-hydroxy...)
Show SMILES OC(=O)CC(O)(CC(=O)CCCCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C17H20Cl2O6/c18-12-7-6-11(14(19)8-12)4-2-1-3-5-13(20)9-17(25,16(23)24)10-15(21)22/h6-8,25H,1-5,9-10H2,(H,21,22)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.50E+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)

More data for this
Ligand-Target Pair