BDBM83937 4-O-[3-cyclopropyl-7-methyl-2-(2-morpholin-4-ylethyl)-6,8-dioxoisoquinolin-7-yl] 1-O-methyl butanedioate::CMLD004084::MLS000438603::O4-[3-cyclopropyl-7-methyl-2-(2-morpholin-4-ylethyl)-6,8-bis(oxidanylidene)isoquinolin-7-yl] O1-methyl butanedioate::SMR000452654::butanedioic acid O4-[3-cyclopropyl-7-methyl-2-[2-(4-morpholinyl)ethyl]-6,8-dioxo-7-isoquinolinyl] ester O1-methyl ester::cid_16745630::succinic acid O4-[3-cyclopropyl-6,8-diketo-7-methyl-2-(2-morpholinoethyl)-7-isoquinolyl] ester O1-methyl ester

SMILES COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(CCN3CCOCC3)C=C2C1=O

InChI Key InChIKey=OLKDZJFMGYSJPB-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 = 83937   

TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83937BDBM83937(SMR000452654 | cid_16745630 | O4-[3-cyclopropyl-7-...)
Affinity DataIC50: 1.27E+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
TargetCaspase-9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83937BDBM83937(SMR000452654 | cid_16745630 | O4-[3-cyclopropyl-7-...)
Affinity DataIC50: 1.45E+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 83937BDBM83937(SMR000452654 | cid_16745630 | 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