Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50113584
Substrate
n/a
Meas. Tech.
ChEBML_213048
IC50
259±n/a nM
Citation
 Song, Y; Clizbe, L; Bhakta, C; Teng, W; Li, W; Wu, Y; Jia, ZJ; Zhang, P; Wang, L; Doughan, B; Su, T; Kanter, J; Woolfrey, J; Wong, P; Huang, B; Tran, K; Sinha, U; Park, G; Reed, A; Malinowski, J; Hollenbach, S; Scarborough, RM; Zhu, BY Design, synthesis, and SAR of substituted acrylamides as factor Xa inhibitors. Bioorg Med Chem Lett 12:1511-5 (2002) [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:
BDBM50113584
Synonyms:
(E)-3-(3-Carbamimidoyl-phenyl)-2-fluoro-but-2-enoic acid (2'-sulfamoyl-biphenyl-4-yl)-amide | (Z)-3-(3-Carbamimidoyl-phenyl)-2-fluoro-but-2-enoic acid (2'-sulfamoyl-biphenyl-4-yl)-amide | 3-(3-carbamimidoyl-phenyl)-2-fluoro-but-2-enoic acid (2'-sulfamoyl-biphenyl-4-yl)-amide | CHEMBL286915
Type:
Small organic molecule
Emp. Form.:
C23H21FN4O3S
Mol. Mass.:
452.501
SMILES:
C\C(=C(/F)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
Structure:
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