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Target
Kallikrein-1
Ligand
BDBM50071572
Substrate
n/a
Meas. Tech.
ChEBML_92390
Ki
21±n/a nM
Citation
 Ogbu, CO; Qabar, MN; Boatman, PD; Urban, J; Meara, JP; Ferguson, MD; Tulinsky, J; Lum, C; Babu, S; Blaskovich, MA; Nakanishi, H; Ruan, F; Cao, B; Minarik, R; Little, T; Nelson, S; Nguyen, M; Gall, A; Kahn, M Highly efficient and versatile synthesis of libraries of constrained beta-strand mimetics. Bioorg Med Chem Lett 8:2321-6 (1999) [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:
BDBM50071572
Synonyms:
8-{5-Amino-1-[2-(4-carbamoyl-phenyl)-ethylaminooxalyl]-pentylcarbamoyl}-2-(2,5-difluoro-benzyl)-1,3-dioxo-6-phenethyl-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylic acid methyl ester | CHEMBL74911
Type:
Small organic molecule
Emp. Form.:
C40H43F2N7O8
Mol. Mass.:
787.8083
SMILES:
COC(=O)C1C(CCc2ccccc2)=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc2ccc(cc2)C(N)=O)n2n1c(=O)n(Cc1cc(F)ccc1F)c2=O |c:14|
Structure:
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