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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endochitinase A1' and Ligand = 'BDBM50559067'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Endochitinase A1


(Neosartorya fumigata (Aspergillus fumigatus))
BDBM50559067
PNG
(CHEMBL4778111)
Show SMILES COc1ccccc1-c1noc2nc(C)[nH]c(=O)c12
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Aspergillus fumigatus chiA1 (Arg28 to His337) expressed in Pichia pastoris incubated for 70 mins using 4MU-NAc3 as substrate by fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00748
BindingDB Entry DOI: 10.7270/Q2348Q30
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)