Reaction Details Report a problem with these data
Target
Chitotriosidase-1
Ligand
BDBM50453520
Substrate
n/a
Meas. Tech.
ChEMBL_1750198 (CHEMBL4184958)
IC50
41±n/a nM
Citation
  TBA Bioorg Med Chem Lett 28:310-314 (2018) [PubMed]  Article 
Target
Name:
Chitotriosidase-1
Synonyms:
3.2.1.14 | CHIT1_MOUSE | Chit1 | Chitinase-1 | Chitotriosidase-1
Type:
PROTEIN
Mol. Mass.:
51108.04
Organism:
Mus musculus
Description:
ChEMBL_117450
Residue:
464
Sequence:
MVQSLAWAGVMTLLMVQWGSAAKLVCYLTNWSQYRTEAVRFFPRDVDPNLCTHVIFAFAGMDNHQLSTVEHNDELLYQELNSLKTKNPKLKTLLAVGGWTFGTQKFTDMVATASNRQTFVKSALSFLRTQGFDGLDLDWEFPGGRGSPTVDKERFTALIQDLAKAFQEEAQSSGKERLLLTAAVPSDRGLVDAGYEVDKIAQSLDFINLMAYDFHSSLEKTTGHNSPLYKRQGESGAAAEQNVDAAVTLWLQKGTPASKLILGMPTYGRSFTLASSSDNGVGAPATGPGAPGPYTKDKGVLAYYEACSWKERHRIEDQKVPYAFQDNQWVSFDDVESFKAKAAYLKQKGLGGAMVWVLDLDDFKGSFCNQGPYPLIRTLRQELNLPSETPRSPEQIIPEPRPSSMPEQGPSPGLDNFCQGKADGVYPNPGDESTYYNCGGGRLFQQSCPPGLVFRASCKCCTWS
  
Inhibitor
Name:
BDBM50453520
Synonyms:
CHEMBL4214737
Type:
Small organic molecule
Emp. Form.:
C26H42ClN7
Mol. Mass.:
488.112
SMILES:
CC(C)C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1CC(C)C)C1CCN(CC1)c1n[nH]c(N)n1 |r|
Structure:
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