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Target
Caspase-3
Ligand
BDBM93630
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:
BDBM93630
Synonyms:
2-(1'-keto-5'-methyl-spiro[1-pyrazoline-3,2'-indane]-4-yl)-4-methyl-benzoic acid methyl ester | 4-methyl-2-(6-methyl-3-oxo-4'-spiro[1H-indene-2,5'-3,4-dihydropyrazole]yl)benzoic acid methyl ester | Benzoic acid, 2-[1,3,4',5'-tetrahydro-1-oxospiro[2H-inden- 2,3'-[3H]pyrazol]-4'-yl]-4-methyl-, methyl ester | MLS002702538 | SMR001566148 | cid_385674 | methyl 4-methyl-2-(6-methyl-3-oxidanylidene-spiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate | methyl 4-methyl-2-(6-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate
Type:
Small organic molecule
Emp. Form.:
C21H20N2O3
Mol. Mass.:
348.3951
SMILES:
COC(=O)c1ccc(C)cc1C1CN=NC11Cc2cc(C)ccc2C1=O |c:14|
Structure:
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