Reaction Details Report a problem with these data
Target
Kallikrein-1
Ligand
BDBM186956
Substrate
n/a
Meas. Tech.
KLK1 assay
IC50
>10000±n/a nM
Citation
Allan, CE; Batt, AR; Davie, RL; Edwards, HJ; Evans, DM; Pethen, SJ Benzylamine derivatives US Patent US9670157 Publication Date 6/6/2017
More Info.:
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:
BDBM186956
Synonyms:
US9670157, 97 2,5-Dimethyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1H-pyrrole-3-carboxylic acid 4-aminomethyl-2-methyl-benzylamide | US9834513, 97
Type:
Small organic molecule
Emp. Form.:
C28H33N5O
Mol. Mass.:
455.5945
SMILES:
Cc1cnn(Cc2ccc(Cn3c(C)cc(C(=O)NCc4ccc(CN)cc4C)c3C)cc2)c1