Reaction Details Report a problem with these data
Target
Kallikrein-1
Ligand
BDBM50090226
Substrate
n/a
Meas. Tech.
ChEBML_92391
Ki
45000±n/a nM
Citation
 Baettig, U; Brown, L; Brundish, D; Dell, C; Furzer, A; Garman, S; Janus, D; Kane, PD; Smith, G; Walker, CV; Cockcroft, X; Ambler, J; Mitchelson, A; Talbot, MD; Tweed, M; Wills, N The design and synthesis of thrombin inhibitors: analogues of MD805 containing non-polar surrogates for arginine at the P1 position. Bioorg Med Chem Lett 10:1563-6 (2000) [PubMed]  Article 
Target
Name:
Kallikrein-1
Synonyms:
KLK1 | KLK1_HUMAN | Kallikrein 1 | Kallikrein-1 | Kidney/pancreas/salivary gland kallikrein | Tissue kallikrein
Type:
Enzyme
Mol. Mass.:
28874.69
Organism:
Homo sapiens (Human)
Description:
P06870
Residue:
262
Sequence:
MWFLVLCLALSLGGTGAAPPIQSRIVGGWECEQHSQPWQAALYHFSTFQCGGILVHRQWVLTAAHCISDNYQLWLGRHNLFDDENTAQFVHVSESFPHPGFNMSLLENHTRQADEDYSHDLMLLRLTEPADTITDAVKVVELPTEEPEVGSTCLASGWGSIEPENFSFPDDLQCVDLKILPNDECKKAHVQKVTDFMLCVGHLEGGKDTCVGDSGGPLMCDGVLQGVTSWGYVPCGTPNKPSVAVRVLSYVKWIEDTIAENS
  
Inhibitor
Name:
BDBM50090226
Synonyms:
3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic acid {(S)-1-benzothiazol-2-ylmethyl-2-[4-(2-hydroxy-ethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide | CHEMBL290025 | MD805 Analogue
Type:
Small organic molecule
Emp. Form.:
C27H34N4O4S2
Mol. Mass.:
542.713
SMILES:
CC1CNc2c(C1)cccc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCO)CC1
Structure:
Search PDB for entries with ligand similarity: