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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Endo-beta-N-acetylglucosaminidase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Endo-beta-N-acetylglucosaminidase


(Homo sapiens)
BDBM50304533
PNG
(2-((5R,6S,7R,8S)-8-acetamido-6,7-dihydroxy-5-methy...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)n2cc(CC(O)=O)nc12
Show InChI InChI=1S/C12H17N3O6/c1-5(17)13-9-11(21)10(20)7(4-16)15-3-6(2-8(18)19)14-12(9)15/h3,7,9-11,16,20-21H,2,4H2,1H3,(H,13,17)(H,18,19)/t7-,9-,10+,11-/m1/s1
KEGG

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Article
PubMed
0.925n/an/an/an/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Competitive inhibition of human placenta beta-N-acetylglucosaminidase by pNP-GlcNAc substrate hydrolysis assay


Citation and Details
More data for this
Ligand-Target Pair
Endo-beta-N-acetylglucosaminidase


(Homo sapiens)
BDBM50304532
PNG
((1R*, 3S*, 5S*, 6S*, 7R*, 7a S*)-5-acetamidomethyl...)
Show SMILES CC(=O)NC[C@H]1[C@H](O)[C@H](O)[C@@H]2[C@H](O)C[C@@H](CO)N12
Show InChI InChI=1S/C11H20N2O5/c1-5(15)12-3-7-10(17)11(18)9-8(16)2-6(4-14)13(7)9/h6-11,14,16-18H,2-4H2,1H3,(H,12,15)/t6-,7-,8+,9-,10-,11+/m0/s1
KEGG

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PubMed
1.25n/an/an/an/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human placenta beta-N-acetylglucosaminidase by pNP-GlcNAc substrate hydrolysis assay


Citation and Details
More data for this
Ligand-Target Pair
Endo-beta-N-acetylglucosaminidase


(Homo sapiens)
BDBM50304533
PNG
(2-((5R,6S,7R,8S)-8-acetamido-6,7-dihydroxy-5-methy...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)n2cc(CC(O)=O)nc12
Show InChI InChI=1S/C12H17N3O6/c1-5(17)13-9-11(21)10(20)7(4-16)15-3-6(2-8(18)19)14-12(9)15/h3,7,9-11,16,20-21H,2,4H2,1H3,(H,13,17)(H,18,19)/t7-,9-,10+,11-/m1/s1
KEGG

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PubMed
n/an/a 1.83n/an/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Inhibition of human placenta beta-N-acetylglucosaminidase by pNP-GlcNAc substrate hydrolysis assay


Citation and Details
More data for this
Ligand-Target Pair
Endo-beta-N-acetylglucosaminidase


(Homo sapiens)
BDBM50304532
PNG
((1R*, 3S*, 5S*, 6S*, 7R*, 7a S*)-5-acetamidomethyl...)
Show SMILES CC(=O)NC[C@H]1[C@H](O)[C@H](O)[C@@H]2[C@H](O)C[C@@H](CO)N12
Show InChI InChI=1S/C11H20N2O5/c1-5(15)12-3-7-10(17)11(18)9-8(16)2-6(4-14)13(7)9/h6-11,14,16-18H,2-4H2,1H3,(H,12,15)/t6-,7-,8+,9-,10-,11+/m0/s1
KEGG

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n/an/a 2.39n/an/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Inhibition of human placenta beta-N-acetylglucosaminidase by pNP-GlcNAc substrate hydrolysis assay


Citation and Details
More data for this
Ligand-Target Pair
Endo-beta-N-acetylglucosaminidase


(Homo sapiens)
BDBM50373151
PNG
(CHEMBL259756)
Show SMILES CC1=N[C@H]2[C@@H](O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H]2O)S1
Show InChI InChI=1S/C62H103NO49S/c1-12-63-23-33(80)47(19(8-70)106-62(23)113-12)107-59-46(93)50(110-60-52(39(86)28(75)16(5-67)101-60)112-61-51(38(85)27(74)17(6-68)102-61)111-57-43(90)36(83)26(73)15(4-66)99-57)32(79)22(105-59)11-96-55-44(91)49(109-58-45(92)48(30(77)18(7-69)100-58)108-56-42(89)35(82)25(72)14(3-65)98-56)31(78)21(104-55)10-95-54-41(88)37(84)29(76)20(103-54)9-94-53-40(87)34(81)24(71)13(2-64)97-53/h13-62,64-93H,2-11H2,1H3/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+/m1/s1
KEGG

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PubMed
n/an/a 420n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human endo-beta-N-acetylglucosaminidase expressed in Hek293 cells after 3 mins


Citation and Details
More data for this
Ligand-Target Pair
Endo-beta-N-acetylglucosaminidase


(Homo sapiens)
BDBM50235890
PNG
((2S,3S)-3-Hydroxybaikiain | (2S,3S)-3-hydroxy-1,2,...)
Show SMILES O[C@H]1C=CCN[C@@H]1C(O)=O
Show InChI InChI=1S/C6H9NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-2,4-5,7-8H,3H2,(H,9,10)/t4-,5-/m0/s1
KEGG

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n/an/a 7.50E+5n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human placenta beta-N-acetylglucosaminidase


Citation and Details
More data for this
Ligand-Target Pair
Endo-beta-N-acetylglucosaminidase


(Homo sapiens)
BDBM50235890
PNG
((2S,3S)-3-Hydroxybaikiain | (2S,3S)-3-hydroxy-1,2,...)
Show SMILES O[C@H]1C=CCN[C@@H]1C(O)=O
Show InChI InChI=1S/C6H9NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-2,4-5,7-8H,3H2,(H,9,10)/t4-,5-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 7.50E+5n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human Placental beta-N-acetylglucosaminidase


Citation and Details
More data for this
Ligand-Target Pair