Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM40340
Substrate
n/a
Meas. Tech.
Factor XIIa Dose Response Confirmation
IC50
>50000±0 nM
Citation
 PubChem, PC Factor XIIa Dose Response Confirmation PubChem Bioassay (2008)[AID] 
Target
Name:
Coagulation factor XII
Synonyms:
Beta-factor XIIa part 1 | Beta-factor XIIa part 2 | Carboxylesterase 2 (intestine, liver) | Coagulation factor XII | Coagulation factor XII (FXII) | Coagulation factor XIIa heavy chain | Coagulation factor XIIa light chain | F12 | FA12_HUMAN | Factor XIIa | Factor XIIa (fXIIa) | HAF | Hageman factor
Type:
Enzyme
Mol. Mass.:
67810.07
Organism:
Homo sapiens (Human)
Description:
P00748
Residue:
615
Sequence:
MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS
  
Inhibitor
Name:
BDBM40340
Synonyms:
3-(4-isobutyrylpiperazino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile | 3-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile | 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile | MLS000071329 | SMR000035358 | cid_658245
Type:
Small organic molecule
Emp. Form.:
C24H28N4O
Mol. Mass.:
388.5053
SMILES:
CC(C)C(=O)N1CCN(CC1)c1nc(-c2ccccc2)c2CCCCc2c1C#N
Structure:
Search PDB for entries with ligand similarity: