Reaction Details Report a problem with these data
Target
Caspase-6
Ligand
BDBM50216424
Substrate
n/a
Meas. Tech.
ChEMBL_440103 (CHEMBL890415)
IC50
840±n/a nM
Citation
 Chu, W; Rothfuss, J; d'Avignon, A; Zeng, C; Zhou, D; Hotchkiss, RS; Mach, RH Isatin sulfonamide analogs containing a Michael addition acceptor: a new class of caspase 3/7 inhibitors. J Med Chem 50:3751-5 (2007) [PubMed]  Article 
Target
Name:
Caspase-6
Synonyms:
Apoptotic protease Mch-2 | CASP-6 | CASP6 | CASP6_HUMAN | Caspase | MCH2
Type:
Enzyme
Mol. Mass.:
33312.62
Organism:
Homo sapiens (Human)
Description:
P55212
Residue:
293
Sequence:
MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN
  
Inhibitor
Name:
BDBM50216424
Synonyms:
2-[1-(4-bromo-benzyl)-2-oxo-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1,2-dihydro-indol-3-yl-idene]-malononitrile | CHEMBL436989
Type:
Small organic molecule
Emp. Form.:
C29H23BrN4O4S
Mol. Mass.:
603.486
SMILES:
Brc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1
Structure:
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