Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50060760
Substrate
n/a
Meas. Tech.
ChEMBL_212515 (CHEMBL817580)
Ki
1200±n/a nM
Citation
 Feng, DM; Gardell, SJ; Lewis, SD; Bock, MG; Chen, Z; Freidinger, RM; Naylor-Olsen, AM; Ramjit, HG; Woltmann, R; Baskin, EP; Lynch, JJ; Lucas, R; Shafer, JA; Dancheck, KB; Chen, IW; Mao, SS; Krueger, JA; Hare, TR; Mulichak, AM; Vacca, JP Discovery of a novel, selective, and orally bioavailable class of thrombin inhibitors incorporating aminopyridyl moieties at the P1 position. J Med Chem 40:3726-33 (1997) [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:
BDBM50060760
Synonyms:
(S)-1-((R)-2-Amino-3,3-dicyclohexyl-propionyl)-pyrrolidine-2-carboxylic acid (6-amino-pyridin-3-ylmethyl)-amide | CHEMBL421437
Type:
Small organic molecule
Emp. Form.:
C26H41N5O2
Mol. Mass.:
455.636
SMILES:
N[C@H](C(C1CCCCC1)C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)nc1
Structure:
Search PDB for entries with ligand similarity: