BDBM83936 4-O-[3-cyclopropyl-2-(2-methoxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 1-O-methyl butanedioate::CMLD003532::MLS000438598::O4-[3-cyclopropyl-2-(2-methoxyethyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] O1-methyl butanedioate::SMR000452650::butanedioic acid O4-[3-cyclopropyl-2-(2-methoxyethyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester O1-methyl ester::cid_16745627::succinic acid O4-[3-cyclopropyl-6,8-diketo-2-(2-methoxyethyl)-7-methyl-7-isoquinolyl] ester O1-methyl ester

SMILES COCCN1C=C2C(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C=C2C=C1C1CC1

InChI Key InChIKey=FFURLHLPJRTSAW-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 = 83936   

TargetCaspase-9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83936BDBM83936(SMR000452650 | CMLD003532 | 4-O-[3-cyclopropyl-2-(...)
Affinity DataIC50: 3.33E+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 83936BDBM83936(SMR000452650 | CMLD003532 | 4-O-[3-cyclopropyl-2-(...)
Affinity DataIC50: 3.70E+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 83936BDBM83936(SMR000452650 | CMLD003532 | 4-O-[3-cyclopropyl-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