Reaction Details Report a problem with these data
Target
Chitotriosidase-1
Ligand
BDBM50243760
Substrate
n/a
Meas. Tech.
ChEMBL_1672913 (CHEMBL4022942)
IC50
2025±n/a nM
Citation
 Mazur, M; Olczak, J; Olejniczak, S; Koralewski, R; Czestkowski, W; Jedrzejczak, A; Golab, J; Dzwonek, K; Dymek, B; Sklepkiewicz, PL; Zagozdzon, A; Noonan, T; Mahboubi, K; Conway, B; Sheeler, R; Beckett, P; Hungerford, WM; Podjarny, A; Mitschler, A; Cousido-Siah, A; Fadel, F; Golebiowski, A Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma. J Med Chem 61:695-710 (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:
BDBM50243760
Synonyms:
CHEMBL4082060
Type:
Small organic molecule
Emp. Form.:
C22H33ClN6
Mol. Mass.:
416.991
SMILES:
Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC1CCCCC1
Structure:
Search PDB for entries with ligand similarity: