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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'ATP-citrate synthase' and Ligand = 'BDBM50368516'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATP-citrate synthase


(Rattus norvegicus)
BDBM50368516
PNG
(CHEMBL1627232)
Show SMILES CS(N)(=O)=C[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO6S/c1-14(7,13)3-6(12,5(10)11)2-4(8)9/h3,12H,2H2,1H3,(H2,7,13)(H,8,9)(H,10,11)/t6-,14?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.50E+5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Reversible binding Ki was measured by the inhibition of the carbon-carbon bond cleavage activity against rat ATP-Citrate Lyase


J Med Chem 35: 4875-84 (1992)


Article DOI: 10.1021/jm00104a014
BindingDB Entry DOI: 10.7270/Q2G73FBC
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50368516
PNG
(CHEMBL1627232)
Show SMILES CS(N)(=O)=C[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO6S/c1-14(7,13)3-6(12,5(10)11)2-4(8)9/h3,12H,2H2,1H3,(H2,7,13)(H,8,9)(H,10,11)/t6-,14?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.50E+5n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACLY


J Med Chem 54: 5615-38 (2011)


Article DOI: 10.1021/jm2005805
BindingDB Entry DOI: 10.7270/Q21N8261
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50368516
PNG
(CHEMBL1627232)
Show SMILES CS(N)(=O)=C[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO6S/c1-14(7,13)3-6(12,5(10)11)2-4(8)9/h3,12H,2H2,1H3,(H2,7,13)(H,8,9)(H,10,11)/t6-,14?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Reversible binding Ki was measured by the inhibition of the carbon-carbon bond cleavage activity against rat ATP-Citrate Lyase


J Med Chem 35: 4875-84 (1992)


Article DOI: 10.1021/jm00104a014
BindingDB Entry DOI: 10.7270/Q2G73FBC
More data for this
Ligand-Target Pair