BDBM70693 MLS000573117::N'-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide::N'-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide::N'-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide::N'-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide::N'-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide::SMR000185049::cid_5719806

SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)C1COc2ccccc2O1

InChI Key InChIKey=LKOXGENSQWFWJU-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 = 70693   

TargetCaspase-9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 70693BDBM70693(cid_5719806 | N'-[(5-hydroxy-3-methyl-1-phenyl...)
Affinity DataIC50: 7.37E+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:
1/6/2012
Entry Details
PCBioAssay
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 70693BDBM70693(cid_5719806 | N'-[(5-hydroxy-3-methyl-1-phenyl...)
Affinity DataIC50: 8.83E+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
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 70693BDBM70693(cid_5719806 | N'-[(5-hydroxy-3-methyl-1-phenyl...)
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