Reaction Details Report a problem with these data
Target
Caspase-3
Ligand
BDBM93606
Substrate
n/a
IC50
>100000±0 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:
BDBM93606
Synonyms:
5-[3-(1-piperidinyl)propyl]-10,11-dihydro-5H-dibenzo[a,d]cycloheptene-5-carbonitrile | MLS001178552 | SMR000475953 | cid_23723097 | ethanedioic acid;11-(3-piperidin-1-ylpropyl)-5,6-dihydrodibenzo[1,2-a:1',2'-e][7]annulene-11-carbonitrile | oxalic acid;11-(3-piperidin-1-ylpropyl)-5,6-dihydrodibenzo[1,2-a:1',2'-e][7]annulene-11-carbonitrile | oxalic acid;11-(3-piperidinopropyl)-5,6-dihydrodibenzo[1,2-a:1',2'-e]cycloheptene-11-carbonitrile | oxalic acid;11-[3-(1-piperidinyl)propyl]-5,6-dihydrodibenzo[1,2-a:1',2'-e][7]annulene-11-carbonitrile
Type:
Small organic molecule
Emp. Form.:
C24H28N2
Mol. Mass.:
344.4925
SMILES:
N#CC1(CCCN2CCCCC2)c2ccccc2CCc2ccccc12
Structure:
Search PDB for entries with ligand similarity: