BDBM41879 1-[3,4-bis(oxidanyl)phenyl]-2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone::2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone::2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone::MLS-0146191.0001::cid_1251069

SMILES Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccccc1Cl

InChI Key InChIKey=WJSDXVCIEJFLPM-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 41879   

TargetAlkaline phosphatase, tissue-nonspecific isozyme(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41879(1-[3,4-bis(oxidanyl)phenyl]-2-[[5-(2-chlorophenyl)...)
Affinity DataIC50: 1.36E+3nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41879(1-[3,4-bis(oxidanyl)phenyl]-2-[[5-(2-chlorophenyl)...)
Affinity DataIC50: 8.15E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41879(1-[3,4-bis(oxidanyl)phenyl]-2-[[5-(2-chlorophenyl)...)
Affinity DataIC50: 1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2011
Entry Details
PCBioAssay