Reaction Details Report a problem with these data
Target
Kallikrein-1
Ligand
BDBM50172728
Substrate
n/a
Meas. Tech.
ChEMBL_1578582 (CHEMBL3811623)
Ki
35±n/a nM
Citation
 Glunz, PW; Mueller, L; Cheney, DL; Ladziata, V; Zou, Y; Wurtz, NR; Wei, A; Wong, PC; Wexler, RR; Priestley, ES Atropisomer Control in Macrocyclic Factor VIIa Inhibitors. J Med Chem 59:4007-18 (2016) [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:
BDBM50172728
Synonyms:
CHEMBL3809472
Type:
Small organic molecule
Emp. Form.:
C27H25N5O3
Mol. Mass.:
467.5191
SMILES:
Nc1nccc2cc(NC3c4ccc(CCOC(=O)Nc5cccc(CNC3=O)c5)cc4)ccc12
Structure:
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