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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Chitooligosaccharidolytic beta-N-acetylglucosaminidase'   
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
Chitooligosaccharidolytic beta-N-acetylglucosaminidase


(Ostrinia furnacalis)
BDBM50452812
PNG
(CHEMBL4216247)
Show SMILES CC(=O)N[C@H]1[C@@H](O[C@H](CO)[C@@H](O)[C@@H]1O)SCCCCCCn1cc(CN2C(=O)c3cccc4cccc(C2=O)c34)nn1 |r|
Show InChI InChI=1S/C29H35N5O7S/c1-17(36)30-24-26(38)25(37)22(16-35)41-29(24)42-13-5-3-2-4-12-33-14-19(31-32-33)15-34-27(39)20-10-6-8-18-9-7-11-21(23(18)20)28(34)40/h6-11,14,22,24-26,29,35,37-38H,2-5,12-13,15-16H2,1H3,(H,30,36)/t22-,24-,25-,26-,29+/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.18E+4n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ostrinia furnacalis Hex1 expressed in Pichia pastoris using varying levels of 4-MU-GlcNAc as substrate measured after 30 mins by fluore...


Bioorg Med Chem 26: 394-400 (2018)


Article DOI: 10.1016/j.bmc.2017.11.042
BindingDB Entry DOI: 10.7270/Q24F1T9P
More data for this
Ligand-Target Pair
Chitooligosaccharidolytic beta-N-acetylglucosaminidase


(Ostrinia furnacalis)
BDBM50452813
PNG
(CHEMBL4215095)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1SCC(=O)NCCCN1C(=O)c2cccc3cccc(C1=O)c23 |r|
Show InChI InChI=1S/C25H29N3O8S/c1-13(30)27-20-22(33)21(32)17(11-29)36-25(20)37-12-18(31)26-9-4-10-28-23(34)15-7-2-5-14-6-3-8-16(19(14)15)24(28)35/h2-3,5-8,17,20-22,25,29,32-33H,4,9-12H2,1H3,(H,26,31)(H,27,30)/t17-,20-,21-,22-,25+/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ostrinia furnacalis Hex1 expressed in Pichia pastoris using varying levels of 4-MU-GlcNAc as substrate measured after 30 mins by fluore...


Bioorg Med Chem 26: 394-400 (2018)


Article DOI: 10.1016/j.bmc.2017.11.042
BindingDB Entry DOI: 10.7270/Q24F1T9P
More data for this
Ligand-Target Pair