BDBM83901 (4E)-2-benzyl-4-[(1,4-dimethylpentylamino)methylene]isoquinoline-1,3-quinone::(4E)-2-benzyl-4-[(5-methylhexan-2-ylamino)methylidene]isoquinoline-1,3-dione::(4E)-4-[(5-methylhexan-2-ylamino)methylidene]-2-(phenylmethyl)isoquinoline-1,3-dione::MLS000567687::SMR000154172::cid_6216218

SMILES CC(C)CCC(C)NC=C1C(=O)N(Cc2ccccc2)C(=O)c2ccccc12

InChI Key InChIKey=GTJRZYCHIYIBQH-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 = 83901   

TargetCaspase-9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83901BDBM83901(SMR000154172 | (4E)-2-benzyl-4-[(5-methylhexan-2-y...)
Affinity DataIC50: 4.43E+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 83901BDBM83901(SMR000154172 | (4E)-2-benzyl-4-[(5-methylhexan-2-y...)
Affinity DataIC50: 7.34E+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 83901BDBM83901(SMR000154172 | (4E)-2-benzyl-4-[(5-methylhexan-2-y...)
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