Reaction Details Report a problem with these data
Target
Caspase-3
Ligand
BDBM93649
Substrate
n/a
IC50
30800±2110 nM
Citation
 PubChem, PC Dose-response confirmation of uHTS inhibitor hits of Sentrin-Specific Protease 8 in a Caspase-3 Fluorescence assay PubChem Bioassay (2012)[AID] 
Target
Name:
Caspase-3
Synonyms:
Apopain | CASP-3 | CASP3 | CASP3_HUMAN | CPP-32 | CPP32 | Caspase 3 | Caspase-3 subunit p12 | Caspase-3 subunit p17 | Cysteine protease CPP32 | SCA-1 | SREBP cleavage activity 1 | Yama protein | caspase-3 preproprotein
Type:
Hydrolase; heterotetramer of two heterodimers
Mol. Mass.:
31607.55
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
277
Sequence:
MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIIINNKNFHKSTGMTSRSGTDVDAANLRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLSHGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETDSGVDDDMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVNRKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH
  
Inhibitor
Name:
BDBM93649
Synonyms:
MLS000051048 | N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-2,5-dimethoxy-N-methyl-benzenesulfonamide | N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2,5-dimethoxy-N-methyl-benzenesulfonamide | N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzenesulfonamide | N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzenesulfonamide (non-preferred name) | SMR000078861 | cid_1864366
Type:
Small organic molecule
Emp. Form.:
C20H24N2O5S
Mol. Mass.:
404.48
SMILES:
COc1ccc(OC)c(c1)S(=O)(=O)N(C)CC(=O)N1CCc2ccccc2C1
Structure:
Search PDB for entries with ligand similarity: