BDBM50053020 2-[6-(2,4-Dichloro-phenyl)-hexylsulfanylmethyl]-2-hydroxy-succinic acid::CHEMBL120648

SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(Cl)cc1Cl)C(O)=O

InChI Key InChIKey=QGRRMRPIDRCWTG-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50053020   

TargetATP-citrate synthase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50053020(2-[6-(2,4-Dichloro-phenyl)-hexylsulfanylmethyl]-2-...)
Affinity DataKi:  1.20E+3nMAssay Description:Binding affinity to ACLY (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetATP-citrate synthase(Rat)
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50053020(2-[6-(2,4-Dichloro-phenyl)-hexylsulfanylmethyl]-2-...)
Affinity DataKi:  3.30E+3nMAssay Description:Inhibition of recombinant ATP-Citrate Lyase activity as maleate dehydrogenase catalyzed reduction of oxaloacetate by NADHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetATP-citrate synthase(Rat)
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50053020(2-[6-(2,4-Dichloro-phenyl)-hexylsulfanylmethyl]-2-...)
Affinity DataKi:  3.30E+3nMAssay Description:Inhibition of rat liver ACLYMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed