Reaction Details Report a problem with these data
Target
Caspase-3
Ligand
BDBM93612
Substrate
n/a
IC50
13300±607 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:
BDBM93612
Synonyms:
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-(4-pyridylmethyl)phthalazin-1-one | 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one | 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(pyridin-4-ylmethyl)-1-phthalazinone | 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one | MLS000118799 | SMR000095739 | cid_5308755
Type:
Small organic molecule
Emp. Form.:
C25H22N4O2
Mol. Mass.:
410.4678
SMILES:
O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)N1CCc2ccccc2C1
Structure:
Search PDB for entries with ligand similarity: