Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Serine protease 1 | ||
| Ligand | BDBM50097762 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_212728 | ||
| Ki | 2100±n/a nM | ||
| Citation |  Jones, SD; Liebeschuetz, JW; Morgan, PJ; Murray, CW; Rimmer, AD; Roscoe, JM; Waszkowycz, B; Welsh, PM; Wylie, WA; Young, SC; Martin, H; Mahler, J; Brady, L; Wilkinson, K The design of phenylglycine containing benzamidine carboxamides as potent and selective inhibitors of factor Xa. Bioorg Med Chem Lett11:733-6 (2001) [PubMed] | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Serine protease 1 | |||
| 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: |
| ||
| BDBM50097762 | |||
| n/a | |||
| Name | BDBM50097762 | ||
| Synonyms: | CHEMBL162596 | N-{[(4-Aminomethyl-cyclohexylmethyl)-carbamoyl]-naphthalen-1-yl-methyl}-3-carbamimidoyl-benzamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H33N5O2 | ||
| Mol. Mass. | 471.5939 | ||
| SMILES | NCC1CCC(CNC(=O)C(NC(=O)c2cccc(c2)C(N)=N)c2cccc3ccccc23)CC1 |(13.7,-5.77,;12.28,-6.39,;11.06,-5.47,;10.09,-3.97,;8.24,-4.79,;6.77,-4.39,;5.44,-5.19,;4.09,-4.44,;2.78,-5.21,;2.78,-6.75,;1.45,-4.46,;.1,-5.23,;-1.23,-4.46,;-1.24,-2.92,;-2.56,-5.23,;-3.9,-4.46,;-5.23,-5.25,;-5.23,-6.79,;-3.9,-7.56,;-2.56,-6.79,;-3.9,-9.1,;-5.23,-9.87,;-2.56,-9.87,;1.43,-2.92,;.1,-2.15,;.1,-.61,;1.43,.16,;2.78,-.61,;4.09,.16,;5.42,-.59,;5.42,-2.15,;4.09,-2.9,;2.76,-2.13,;7.73,-5.89,;9.67,-5.07,)| | ||
| Structure | 
| ||