Reaction Details Report a problem with these data
Target
Caspase-5
Ligand
BDBM50200554
Substrate
n/a
Meas. Tech.
ChEMBL_1622627 (CHEMBL3864979)
Ki
135±n/a nM
Citation
 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE Variation of the aryl substituent on the piperazine ring within the 4-(piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine scaffold unveils potent, non-competitive inhibitors of the inflammatory caspases. Bioorg Med Chem Lett 26:5476-5480 (2016) [PubMed]  Article 
Target
Name:
Caspase-5
Synonyms:
CASP-5 | CASP5 | CASP5_HUMAN | Caspase 5 | Caspase-5 subunit p10 | Caspase-5 subunit p20 | ICE(rel)-III | ICH-3 protease | ICH3 | Protease ICH-3 | Protease TY | TY protease
Type:
Enzyme
Mol. Mass.:
49760.80
Organism:
Homo sapiens (Human)
Description:
P51878
Residue:
434
Sequence:
MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN
  
Inhibitor
Name:
BDBM50200554
Synonyms:
CHEMBL3968765
Type:
Small organic molecule
Emp. Form.:
C24H31F3N6
Mol. Mass.:
460.5383
SMILES:
FC(F)(F)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1
Structure:
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