Reaction Details Report a problem with these data
Target
Kallikrein-1
Ligand
BDBM50379838
Substrate
n/a
Meas. Tech.
ChEMBL_809737 (CHEMBL2016156)
Ki
31±n/a nM
Citation
 Liang, G; Chen, X; Aldous, S; Pu, SF; Mehdi, S; Powers, E; Xia, T; Wang, R Human kallikrein 6 inhibitors with a para-amidobenzylanmine P1 group identified through virtual screening. Bioorg Med Chem Lett 22:2450-5 (2012) [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:
BDBM50379838
Synonyms:
CHEMBL2011750
Type:
Small organic molecule
Emp. Form.:
C22H20I2N4O2
Mol. Mass.:
626.2287
SMILES:
NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3I)C(N)=N)cc2)c(I)c1
Structure:
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