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Assay Detail

CHEMBL4704015

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylumbelliferyl-beta-D-N,N',N"-triacetylchitotrioside as substrate after 60 mins by fluorometric assay
19
Total Activities
18
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Mus musculus
Cell Type CHO-K1
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Chitotriosidase-1 (CHEMBL4105845)
Type SINGLE PROTEIN
Organism Mus musculus

Publication

Discovery of OATD-01, a First-in-Class Chitinase Inhibitor as Potential New Therapeutics for Idiopathic Pulmonary Fibrosis.
Koralewski R,Dymek B,Mazur M,Sklepkiewicz P,Olejniczak S,Czestkowski W,Matyszewski K,Andryianau G,Niedziejko P,Kowalski M,Gruza M,Borek B,Jedrzejczak K,Bartoszewicz A,Pluta E,Rymaszewska A,Kania M,Rejczak T,Piasecka S,Mlacki M,Mazurkiewicz M,Piotrowicz M,Salamon M,Zagozdzon A,Napiorkowska-Gromadzka A,Bartlomiejczak A,Mozga W,Dobrzański P,Dzwonek K,Golab J,Nowotny M,Olczak J,Golebiowski A
J Med Chem (2020) 63 : 15527 -15540
PubMed 33078933 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 18 6.76 7.85
Ki 1 7.58 7.58

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4776610 1 7.85
CHEMBL4756869 1 7.82
CHEMBL4794014 1 7.72
CHEMBL4789376 1 7.60
CHEMBL4788866 5-(4-((2S,5S)-5-(4-CHLOROBENZYL)-2-METHYLMORPHOLINO)PIPERIDIN-1-YL)-1H-1,2,4-TRIAZOL-3-AMINE 2.0 2 7.58
CHEMBL4206372 1 7.54
CHEMBL4764430 1 7.54
CHEMBL4755139 1 7.52
CHEMBL4749391 1 7.31
CHEMBL4461925 1 7.13
CHEMBL4580568 1 7.06
CHEMBL4640857 1 6.86
CHEMBL4209364 1 5.80
CHEMBL4791640 1 5.77
CHEMBL4076989 1 5.53
CHEMBL4758240 1 5.28
CHEMBL4742167 1 5.14
CHEMBL4758850 1 4.57

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4776610 IC50 = 14.0 nM 7.85
CHEMBL4756869 IC50 = 15.0 nM 7.82
CHEMBL4794014 IC50 = 19.0 nM 7.72
CHEMBL4789376 IC50 = 25.0 nM 7.60
CHEMBL4788866 5-(4-((2S,5S)-5-(4-CHLOROBENZYL)-2-METHYLMORPHOLINO)PIPERIDIN-1-YL)-1H-1,2,4-TRIAZOL-3-AMINE Ki = 26.05 nM 7.58
CHEMBL4788866 5-(4-((2S,5S)-5-(4-CHLOROBENZYL)-2-METHYLMORPHOLINO)PIPERIDIN-1-YL)-1H-1,2,4-TRIAZOL-3-AMINE IC50 = 28.0 nM 7.55
CHEMBL4206372 IC50 = 29.0 nM 7.54
CHEMBL4764430 IC50 = 29.0 nM 7.54
CHEMBL4755139 IC50 = 30.0 nM 7.52
CHEMBL4749391 IC50 = 49.0 nM 7.31
CHEMBL4461925 IC50 = 74.0 nM 7.13
CHEMBL4580568 IC50 = 87.0 nM 7.06
CHEMBL4640857 IC50 = 137.0 nM 6.86
CHEMBL4209364 IC50 = 1600.0 nM 5.80
CHEMBL4791640 IC50 = 1700.0 nM 5.77
CHEMBL4076989 IC50 = 2955.0 nM 5.53
CHEMBL4758240 IC50 = 5300.0 nM 5.28
CHEMBL4742167 IC50 = 7200.0 nM 5.14
CHEMBL4758850 IC50 = 27000.0 nM 4.57