Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50066616
Substrate
n/a
Meas. Tech.
ChEMBL_4327 (CHEMBL618434)
Ki
44±n/a nM
Citation
 Guilford, WJ; Shaw, KJ; Dallas, JL; Koovakkat, S; Lee, W; Liang, A; Light, DR; McCarrick, MA; Whitlow, M; Ye, B; Morrissey, MM Synthesis, characterization, and structure-activity relationships of amidine-substituted (bis)benzylidene-cycloketone olefin isomers as potent and selective factor Xa inhibitors. J Med Chem 42:5415-25 (2000) [PubMed]  Article 
Target
Name:
Serine protease 1
Synonyms:
Beta-Trypsin | Cationic trypsin | PRSS1 | TRP1 | TRY1 | TRY1_BOVIN | TRYP1 | Trypsin | Trypsin I
Type:
Enzyme
Mol. Mass.:
25790.52
Organism:
Bos taurus (bovine)
Description:
P00760
Residue:
246
Sequence:
MKTFIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
  
Inhibitor
Name:
BDBM50066616
Synonyms:
(Z,Z)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-one | 2,7-di[1-[3-amino(imino)methylphenyl]-(Z)-methylidene]-1-cycloheptanone | CHEMBL331437
Type:
Small organic molecule
Emp. Form.:
C23H24N4O
Mol. Mass.:
372.4629
SMILES:
NC(=N)c1cccc(\C=C2\CCCC\C(=C\c3cccc(c3)C(N)=N)C2=O)c1
Structure:
Search PDB for entries with ligand similarity: