BDBM71232 3-(3-Benzotriazol-1-yl-1,4-dioxo-1,4-dihydro-naphthalen-2-ylamino)-benzoic acid::3-[[3-(1-benzotriazolyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid::3-[[3-(benzotriazol-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]benzoic acid::3-[[3-(benzotriazol-1-yl)-1,4-diketo-2-naphthyl]amino]benzoic acid::3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]benzoic acid::MLS000777938::SMR000414332::cid_1045968

SMILES OC(=O)c1cccc(NC2=C(C(=O)c3ccccc3C2=O)n2nnc3ccccc23)c1

InChI Key InChIKey=SEXWJBVPCJURDW-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 71232   

TargetCaspase-9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM71232(cid_1045968 | 3-[[3-(1-benzotriazolyl)-1,4-dioxo-2...)
Affinity DataIC50: 1.20E+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
LigandPNGBDBM71232(cid_1045968 | 3-[[3-(1-benzotriazolyl)-1,4-dioxo-2...)
Affinity DataIC50: 1.09E+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:
1/5/2012
Entry Details
PCBioAssay
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM71232(cid_1045968 | 3-[[3-(1-benzotriazolyl)-1,4-dioxo-2...)
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
TargetMitochondrial peptide methionine sulfoxide reductase(Bovine)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM71232(cid_1045968 | 3-[[3-(1-benzotriazolyl)-1,4-dioxo-2...)
Affinity DataIC50: 3.14E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay