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SMILES: [O-]P([O-])(=O)C(CCCc1cccc(Nc2ccccc2)c1)S([O-])(=O)=O

InChI Key: InChIKey=CSBMAVBLBVKTJH-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 = 50292868   
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))
BDBM50292868
PNG
(1-Phosphono-4-(3-phenylaminophenyl)butylsulfonic A...)
Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Nc2ccccc2)c1)S([O-])(=O)=O
Show InChI InChI=1S/C16H20NO6PS/c18-24(19,20)16(25(21,22)23)11-5-7-13-6-4-10-15(12-13)17-14-8-2-1-3-9-14/h1-4,6,8-10,12,16-17H,5,7,11H2,(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
Article
PubMed
n/an/a 79n/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)
BDBM50292868
PNG
(1-Phosphono-4-(3-phenylaminophenyl)butylsulfonic A...)
Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Nc2ccccc2)c1)S([O-])(=O)=O
Show InChI InChI=1S/C16H20NO6PS/c18-24(19,20)16(25(21,22)23)11-5-7-13-6-4-10-15(12-13)17-14-8-2-1-3-9-14/h1-4,6,8-10,12,16-17H,5,7,11H2,(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
Article
PubMed
n/an/a 4.37E+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