Reaction Details Report a problem with these data
Target
Kallikrein-1
Ligand
BDBM50192770
Substrate
n/a
Meas. Tech.
ChEMBL_1613699 (CHEMBL3855499)
Ki
1200±n/a nM
Citation
 Ladziata, VU; Glunz, PW; Zou, Y; Zhang, X; Jiang, W; Jacutin-Porte, S; Cheney, DL; Wei, A; Luettgen, JM; Harper, TM; Wong, PC; Seiffert, D; Wexler, RR; Priestley, ES Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Bioorg Med Chem Lett 26:5051-5057 (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:
BDBM50192770
Synonyms:
CHEMBL3956096
Type:
Small organic molecule
Emp. Form.:
C37H40FN5O5
Mol. Mass.:
653.7424
SMILES:
C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CCCCC1)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: