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SMILES: [O-]P([O-])(=O)C(CCc1cccc(Oc2ccccc2)c1)S([O-])(=O)=O

InChI Key: InChIKey=MZTGGNAWLSMCLZ-UHFFFAOYSA-K

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50292869   
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))
BDBM50292869
PNG
(1-Phosphono-3-(3-phenoxyphenyl)propylsulfonic Acid...)
Show SMILES [O-]P([O-])(=O)C(CCc1cccc(Oc2ccccc2)c1)S([O-])(=O)=O
Show InChI InChI=1S/C15H17O7PS/c16-23(17,18)15(24(19,20)21)10-9-12-5-4-8-14(11-12)22-13-6-2-1-3-7-13/h1-8,11,15H,9-10H2,(H2,16,17,18)(H,19,20,21)/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 550n/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)
BDBM50292869
PNG
(1-Phosphono-3-(3-phenoxyphenyl)propylsulfonic Acid...)
Show SMILES [O-]P([O-])(=O)C(CCc1cccc(Oc2ccccc2)c1)S([O-])(=O)=O
Show InChI InChI=1S/C15H17O7PS/c16-23(17,18)15(24(19,20)21)10-9-12-5-4-8-14(11-12)22-13-6-2-1-3-7-13/h1-8,11,15H,9-10H2,(H2,16,17,18)(H,19,20,21)/p-3
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.00E+5n/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