BDBM83902 2-(4-methylphenyl)-5-[[5-(naphthalen-1-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole::2-(4-methylphenyl)-5-[[[5-(1-naphthalenyloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1,3,4-oxadiazole::2-[5-(Naphthalen-1-yloxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-5-p-tolyl-[1,3,4]oxadiazole::2-[[[5-(1-naphthoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-(p-tolyl)-1,3,4-oxadiazole::MLS000526741::SMR000117215::cid_3137159

SMILES Cc1ccc(cc1)-c1nnc(CSc2nnc(COc3cccc4ccccc34)n2-c2ccccc2)o1

InChI Key InChIKey=WCVSEYBAUIPDKB-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 83902   

TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83902BDBM83902(2-[5-(Naphthalen-1-yloxymethyl)-4-phenyl-4H-[1,2,4...)
Affinity DataIC50: 6.83E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay
TargetCaspase-9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83902BDBM83902(2-[5-(Naphthalen-1-yloxymethyl)-4-phenyl-4H-[1,2,4...)
Affinity DataIC50: 1.03E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/6/2012
Entry Details
PCBioAssay
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83902BDBM83902(2-[5-(Naphthalen-1-yloxymethyl)-4-phenyl-4H-[1,2,4...)
Affinity DataIC50: 1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay