Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM40351
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:
BDBM40351
Synonyms:
6-amino-1-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-methyl-pyrimidine-2,4-quinone | 6-amino-1-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-methylpyrimidine-2,4-dione | 6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-1-oxoethyl]-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione | 6-azanyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)ethanoyl]-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione | MLS000056405 | SMR000067370 | cid_2087892
Type:
Small organic molecule
Emp. Form.:
C23H24N4O3
Mol. Mass.:
404.4617
SMILES:
Cn1c(=O)c(C(=O)CN2CCCc3ccccc23)c(N)n(Cc2ccccc2)c1=O
Structure:
Search PDB for entries with ligand similarity: