BDBM83935 4-O-(3-cyclopropyl-7-methyl-6,8-dioxo-2-prop-2-enylisoquinolin-7-yl) 1-O-methyl butanedioate::CMLD004298::MLS000438596::O4-[3-cyclopropyl-7-methyl-6,8-bis(oxidanylidene)-2-prop-2-enyl-isoquinolin-7-yl] O1-methyl butanedioate::SMR000452648::butanedioic acid O4-(3-cyclopropyl-7-methyl-6,8-dioxo-2-prop-2-enyl-7-isoquinolinyl) ester O1-methyl ester::cid_16745626::succinic acid O4-(2-allyl-3-cyclopropyl-6,8-diketo-7-methyl-7-isoquinolyl) ester O1-methyl ester

SMILES C=CCN1C=C2C(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C=C2C=C1C1CC1

InChI Key InChIKey=ZENLPJZFOKRYOQ-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 = 83935   

TargetCaspase-9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83935BDBM83935(CMLD004298 | butanedioic acid O4-(3-cyclopropyl-7-...)
Affinity DataIC50: 2.25E+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 83935BDBM83935(CMLD004298 | butanedioic acid O4-(3-cyclopropyl-7-...)
Affinity DataIC50: 3.93E+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
LigandChemical structure of BindingDB Monomer ID 83935BDBM83935(CMLD004298 | butanedioic acid O4-(3-cyclopropyl-7-...)
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