Reaction Details Report a problem with these data
Target
Kallikrein-1
Ligand
BDBM528099
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
>40000±n/a nM
Citation
 Crowe, DM; Aret, E; Gandhi, K; Lelieveld, RH; Sharp, EK; Todd, RS Solid forms of a plasma kallikrein inhibitor and salts thereof US Patent  US11584735 Publication Date 2/21/2023 
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:
BDBM528099
Synonyms:
1-({4-[(5-fluoro-2-oxopyridin-1-yl)methyl]phenyl}methyl)-N-[(3-fluoro-4- methoxypyridin-2-yl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide | US11180484, Example 30 | US11584735, Compound of Formula A
Type:
Small organic molecule
Emp. Form.:
C26H25F2N5O4
Mol. Mass.:
509.5046
SMILES:
COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F
Structure:
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