Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50123766
Substrate
n/a
Meas. Tech.
ChEMBL_213251 (CHEMBL821459)
Ki
>2900±n/a nM
Citation
 Choi-Sledeski, YM; Kearney, R; Poli, G; Pauls, H; Gardner, C; Gong, Y; Becker, M; Davis, R; Spada, A; Liang, G; Chu, V; Brown, K; Collussi, D; Leadley, R; Rebello, S; Moxey, P; Morgan, S; Bentley, R; Kasiewski, C; Maignan, S; Guilloteau, JP; Mikol, V Discovery of an orally efficacious inhibitor of coagulation factor Xa which incorporates a neutral P1 ligand. J Med Chem 46:681-4 (2003) [PubMed]  Article 
Target
Name:
Serine protease 1
Synonyms:
Alpha-trypsin chain 1 | Alpha-trypsin chain 2 | Beta-trypsin | Cationic trypsinogen | PRSS1 | Serine protease 1 | TRP1 | TRY1 | TRY1_HUMAN | TRYP1 | Thrombin & trypsin | Trypsin | Trypsin I | Trypsin-1
Type:
Enzyme
Mol. Mass.:
26557.80
Organism:
Homo sapiens (Human)
Description:
P07477
Residue:
247
Sequence:
MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGGSLINEQWVVSAGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPQYDRKTLNNDIMLIKLSSRAVINARVSTISLPTAPPATGTKCLISGWGNTASSGADYPDELQCLDAPVLSQAKCEASYPGKITSNMFCVGFLEGGKDSCQGDSGGPVVCNGQLQGVVSWGDGCAQKNKPGVYTKVYNYVKWIKNTIAANS
  
Inhibitor
Name:
BDBM50123766
Synonyms:
4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1-methyl-1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-piperazin-2-one | CHEMBL422706
Type:
Small organic molecule
Emp. Form.:
C21H19ClN4O3S2
Mol. Mass.:
474.984
SMILES:
Cn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12
Structure:
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