BDBM50514507 CHEMBL1583158

SMILES Cc1cccn2c1nc1n(CC3CCCO3)c(=N)c(cc1c2=O)C(=O)NCc1cccnc1

InChI Key InChIKey=XPXWHWPEIBBBCJ-UHFFFAOYSA-N

Data  6 KI  3 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50514507   

TargetChitotriosidase-1(Human)
Dalian University of Technology

Curated by ChEMBL
LigandPNGBDBM50514507(CHEMBL1583158)
Affinity DataKd:  1.12E+3nMAssay Description:Binding affinity to human CHIT1 catalytic domain overexpressed in Pichia pastoris assessed by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetChitotriosidase-1(Human)
Dalian University of Technology

Curated by ChEMBL
LigandPNGBDBM50514507(CHEMBL1583158)
Affinity DataKi:  1.12E+3nMAssay Description:Inhibition of human CHIT1 catalytic domain overexpressed in Pichia pastoris using 4MU-(GlcNAc)2 as substrate after 30 mins by fluorescence based micr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetChitotriosidase-1(Mouse)
Dalian University of Technology

Curated by ChEMBL
LigandPNGBDBM50514507(CHEMBL1583158)
Affinity DataKi:  1.94E+3nMAssay Description:Inhibition of mouse CHIT1 catalytic domain overexpressed in Pichia pastoris using 4MU-(GlcNAc)2 as substrate after 30 mins by fluorescence based micr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed