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PubMed code 1479587

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
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


Citation and Details
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
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


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50004265
PNG
(2-(3-Hydroxy-2-oxo-azetidin-3-ylmethyl)-succinic a...)
Show SMILES OC(=O)C[C@H](C[C@]1(O)CNC1=O)C(O)=O
Show InChI InChI=1S/C8H11NO6/c10-5(11)1-4(6(12)13)2-8(15)3-9-7(8)14/h4,15H,1-3H2,(H,9,14)(H,10,11)(H,12,13)/t4-,8+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>9.00E+6n/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


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50004264
PNG
(2-(3-Hydroxy-2-oxo-azetidin-3-ylmethyl)-succinic a...)
Show SMILES OC(=O)C[C@H](C[C@@]1(O)CNC1=O)C(O)=O
Show InChI InChI=1S/C8H11NO6/c10-5(11)1-4(6(12)13)2-8(15)3-9-7(8)14/h4,15H,1-3H2,(H,9,14)(H,10,11)(H,12,13)/t4-,8-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>2.00E+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


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%