Reaction Details Report a problem with these data
Target
Kallikrein-1
Ligand
BDBM528113
Substrate
n/a
Meas. Tech.
Determination of the IC50 for KLK1
IC50
>4000±n/a nM
Citation
 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP Pyrazole derivatives as plasma kallikrein inhibitors US Patent  US11180484 Publication Date 11/23/2021 
Target
Name:
Kallikrein-1
Synonyms:
Kallikrein-1 | Kidney/pancreas/salivary gland kallikrein | Tissue kallikrein | KLK1_HUMAN | KLK1 | Kallikrein 1
Type:
Enzyme
Mol. Mass.:
28874.69
Organism:
Human
Description:
P06870
Residue:
262
Sequence:
MWFLVLCLALSLGGTGAAPPIQSRIVGGWECEQHSQPWQAALYHFSTFQCGGILVHRQWVLTAAHCISDNYQLWLGRHNLFDDENTAQFVHVSESFPHPGFNMSLLENHTRQADEDYSHDLMLLRLTEPADTITDAVKVVELPTEEPEVGSTCLASGWGSIEPENFSFPDDLQCVDLKILPNDECKKAHVQKVTDFMLCVGHLEGGKDTCVGDSGGPLMCDGVLQGVTSWGYVPCGTPNKPSVAVRVLSYVKWIEDTIAENS
  
Inhibitor
Name:
BDBM528113
Synonyms:
N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)-1-({5-[(2- oxopyridin-1-yl)methyl]pyridin-2-yl}methyl)pyrazole-4-carboxamide | US11180484, Example 51
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
COCc1nn(Cc2ccc(Cn3ccccc3=O)cn2)cc1C(=O)NCc1c(F)c(OC)ccc1C#N
Structure:
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