Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM45472
Substrate
n/a
Meas. Tech.
Factor XIIa 1536 HTS Dose Response Confirmation
IC50
>50000±0 nM
Citation
 PubChem, PC Factor XIIa 1536 HTS 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:
BDBM45472
Synonyms:
MLS000519739 | N-[1-(cyclohexylamino)-2-methyl-1-oxidanylidene-butan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide | N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(2-furanylmethyl)-2-pyridinecarboxamide | N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide | N-[1-(cyclohexylcarbamoyl)-1-methyl-propyl]-N-(2-furfuryl)picolinamide | SMR000130157 | cid_3964693
Type:
Small organic molecule
Emp. Form.:
C22H29N3O3
Mol. Mass.:
383.484
SMILES:
CCC(C)(N(Cc1ccco1)C(=O)c1ccccn1)C(=O)NC1CCCCC1
Structure:
Search PDB for entries with ligand similarity: