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BDBM50053005 2-(5-Biphenyl-2-yl-pentylsulfanylmethyl)-2-hydroxy-succinic acid::CHEMBL118961

InChI string: InChI=1S/C22H26O5S/c23-20(24)15-22(27,21(25)26)16-28-14-8-2-5-11-18-12-6-7-13-19(18)17-9-3-1-4-10-17/h1,3-4,6-7,9-10,12-13,27H,2,5,8,11,14-16H2,(H,23,24)(H,25,26)

SMILES: OC(=O)CC(O)(CSCCCCCc1ccccc1-c1ccccc1)C(O)=O

InChI Key: InChIKey=UYSRTIVREXCPKD-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50053005   
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)
BDBM50053005
PNG
(2-(5-Biphenyl-2-yl-pentylsulfanylmethyl)-2-hydroxy...)
Show SMILES OC(=O)CC(O)(CSCCCCCc1ccccc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H26O5S/c23-20(24)15-22(27,21(25)26)16-28-14-8-2-5-11-18-12-6-7-13-19(18)17-9-3-1-4-10-17/h1,3-4,6-7,9-10,12-13,27H,2,5,8,11,14-16H2,(H,23,24)(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.10E+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