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SMILES: [O-]P([O-])(=O)C(CCCc1cccc(Cc2ccccc2)c1)S([O-])(=O)=O

InChI Key: InChIKey=RHDOOWQPCUVIDK-UHFFFAOYSA-K

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50292867   
Target/Host
(Institution)
LigandTarget/Host
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
Squalene synthase


(Homo sapiens (Human))
BDBM50292867
PNG
(1-Phosphono-4-(3-benzylphenyl)butylsulfonic Acid T...)
Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Cc2ccccc2)c1)S([O-])(=O)=O
Show InChI InChI=1S/C17H21O6PS/c18-24(19,20)17(25(21,22)23)11-5-9-15-8-4-10-16(13-15)12-14-6-2-1-3-7-14/h1-4,6-8,10,13,17H,5,9,11-12H2,(H2,18,19,20)(H,21,22,23)/p-3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 69n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...


J Med Chem 52: 976-88 (2009)


Article DOI: 10.1021/jm801023u
BindingDB Entry DOI: 10.7270/Q2VM4C87
More data for this
Ligand-Target Pair
4,4'-diapophytoene synthase


(Staphylococcus aureus)
BDBM50292867
PNG
(1-Phosphono-4-(3-benzylphenyl)butylsulfonic Acid T...)
Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Cc2ccccc2)c1)S([O-])(=O)=O
Show InChI InChI=1S/C17H21O6PS/c18-24(19,20)17(25(21,22)23)11-5-9-15-8-4-10-16(13-15)12-14-6-2-1-3-7-14/h1-4,6-8,10,13,17H,5,9,11-12H2,(H2,18,19,20)(H,21,22,23)/p-3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.04E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay


J Med Chem 52: 976-88 (2009)


Article DOI: 10.1021/jm801023u
BindingDB Entry DOI: 10.7270/Q2VM4C87
More data for this
Ligand-Target Pair