Reaction Details Report a problem with these data
Target
Acidic mammalian chitinase
Ligand
BDBM349971
Substrate
n/a
Meas. Tech.
Human AMCase Activity Assay
IC50
<100±n/a nM
Citation
Mazur, M; Koralewski, R; Borek, B; Olejniczak, S; Czestkowski, WJ; Piotrowicz, MC; Olczak, JP; Golebiowski, AA; Bartoszewicz, A; Maziarz, E; Kowalski, ML Substituted amino triazoles useful as human chitinase inhibitors US Patent US10538508 Publication Date 1/21/2020
More Info.:
Target
Name:
Acidic mammalian chitinase
Synonyms:
AMCase | Acidic mammalian chitinase (AMCase) | CHIA | CHIA_HUMAN | Lung-specific protein TSA1902
Type:
Protein
Mol. Mass.:
52266.66
Organism:
Homo sapiens (Human)
Description:
Q9BZP6
Residue:
476
Sequence:
MTKLILLTGLVLILNLQLGSAYQLTCYFTNWAQYRPGLGRFMPDNIDPCLCTHLIYAFAGRQNNEITTIEWNDVTLYQAFNGLKNKNSQLKTLLAIGGWNFGTAPFTAMVSTPENRQTFITSVIKFLRQYEFDGLDFDWEYPGSRGSPPQDKHLFTVLVQEMREAFEQEAKQINKPRLMVTAAVAAGISNIQSGYEIPQLSQYLDYIHVMTYDLHGSWEGYTGENSPLYKYPTDTGSNAYLNVDYVMNYWKDNGAPAEKLIVGFPTYGHNFILSNPSNTGIGAPTSGAGPAGPYAKESGIWAYYEICTFLKNGATQGWDAPQEVPYAYQGNVWVGYDNIKSFDIKAQWLKHNKFGGAMVWAIDLDDFTGTFCNQGKFPLISTLKKALGLQSASCTAPAQPIEPITAAPSGSGNGSGSSSSGGSSGGSGFCAVRANGLYPVANNRNAFWHCVNGVTYQQNCQAGLVFDTSCDCCNWA
Inhibitor
Name:
BDBM349971
Synonyms:
(S)-5-(4-(7-chloro-3-(4-chlorobenzyl)-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)piperidin-1-yl)-4H-1,2,4-triazol-3-amine | US10208020, Example 61 | US10538508, Example 61 | US11638707, Example C20. | US9944624, Ex. 61
Type:
Small organic molecule
Emp. Form.:
C23H26Cl2N6O
Mol. Mass.:
473.398
SMILES:
Nc1nnc([nH]1)N1CCC(CC1)N1Cc2cc(Cl)ccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r|