BDBM83894 (8S,8aR,11aS,11bS)-10-Cyclohexyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3, 4]pyrrolo[2,1-a]isoquinoline-9,11-dione::MLS000557355::SMR000148272::cid_7472344

SMILES [H][C@]12[C@H](N3C=Cc4ccccc4[C@]3([H])[C@@]1([H])C(=O)N(C1CCCCC1)C2=O)C(=O)C(C)(C)C

InChI Key InChIKey=ULNZVSBWMWLJBK-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 83894   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83894BDBM83894(SMR000148272 | MLS000557355 | (8S,8aR,11aS,11bS)-1...)
Affinity DataIC50: 1.05E+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 83894BDBM83894(SMR000148272 | MLS000557355 | (8S,8aR,11aS,11bS)-1...)
Affinity DataIC50: 1.53E+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 83894BDBM83894(SMR000148272 | MLS000557355 | (8S,8aR,11aS,11bS)-1...)
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