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Target
Kallikrein-1
Ligand
BDBM50522483
Substrate
n/a
Meas. Tech.
ChEMBL_1886793 (CHEMBL4388470)
IC50
50119±n/a nM
Citation
 Walker, AL; Bingham, RP; Edgar, EV; Ferrie, A; Holmes, DS; Liddle, J; Polyakova, O; Rella, M; Smith, KJ; Thorpe, JH; Wang, Y; White, GV; Young, RJ; Hovnanian, A Structure guided drug design to develop kallikrein 5 inhibitors to treat Netherton syndrome. Bioorg Med Chem Lett 29:1454-1458 (2019) [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:
BDBM50522483
Synonyms:
CHEMBL4468959
Type:
Small organic molecule
Emp. Form.:
C22H25N5O3
Mol. Mass.:
407.4656
SMILES:
OC=O.NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCC1CC1
Structure:
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