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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Endoglucanase-5' AND taxid = 34413   
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
Endoglucanase-5


(Humicola insolens)
BDBM50346888
PNG
(CHEMBL1797815)
Show SMILES OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O
Show InChI InChI=1S/C36H62O31/c37-1-8(44)15(46)27(9(45)2-38)63-33-23(54)18(49)29(11(4-40)59-33)65-35-25(56)20(51)31(13(6-42)61-35)67-36-26(57)21(52)30(14(7-43)62-36)66-34-24(55)19(50)28(12(5-41)60-34)64-32-22(53)17(48)16(47)10(3-39)58-32/h1,8-36,38-57H,2-7H2/t8-,9+,10+,11+,12+,13+,14+,15+,16+,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-/m0/s1
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4.20E+5n/an/an/an/an/an/an/an/a



Hirosaki University

Curated by ChEMBL


Assay Description
Binding affinity to Humicola insolens NCE5 assessed as dissociation constant at pH 4


Bioorg Med Chem 19: 3812-30 (2011)

More data for this
Ligand-Target Pair
Endoglucanase-5


(Humicola insolens)
BDBM50346887
PNG
(CHEMBL1797814)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](S[C@@H]3C=C(CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C26H44O19S/c1-40-24-19(38)16(35)22(9(5-29)42-24)45-26-20(39)17(36)23(10(6-30)43-26)46-11-2-7(3-27)21(15(34)13(11)32)44-25-18(37)14(33)12(31)8(4-28)41-25/h2,8-39H,3-6H2,1H3/t8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+/m1/s1
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1.60E+6n/an/an/an/an/an/an/an/a



Hirosaki University

Curated by ChEMBL


Assay Description
Binding affinity to Humicola insolens NCE5 assessed as dissociation constant at pH 3.0 and at 59 degC by differential scanning calorimetry


Bioorg Med Chem 19: 3812-30 (2011)

More data for this
Ligand-Target Pair
Endoglucanase-5


(Humicola insolens)
BDBM50346884
PNG
(CHEMBL1797811)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](S[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C25H44O20S/c1-39-22-16(36)12(32)19(7(3-27)41-22)44-24-17(37)14(34)21(9(5-29)42-24)46-25-18(38)13(33)20(8(4-28)43-25)45-23-15(35)11(31)10(30)6(2-26)40-23/h6-38H,2-5H2,1H3/t6-,7-,8-,9-,10-,11+,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+,25+/m1/s1
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3.90E+6n/an/an/an/an/an/an/an/a



Hirosaki University

Curated by ChEMBL


Assay Description
Binding affinity to Humicola insolens NCE5 assessed as dissociation constant at pH 3.0 and at 59 degC by differential scanning calorimetry


Bioorg Med Chem 19: 3812-30 (2011)

More data for this
Ligand-Target Pair
Endoglucanase-5


(Humicola insolens)
BDBM50346885
PNG
(CHEMBL1797812)
Show SMILES CO[C@H]1O[C@H](CO)[C@@H](S[C@@H]2C=C(CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C20H34O14S/c1-31-19-16(30)14(28)18(8(5-23)33-19)35-9-2-6(3-21)17(13(27)11(9)25)34-20-15(29)12(26)10(24)7(4-22)32-20/h2,7-30H,3-5H2,1H3/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19+,20+/m1/s1
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PubMed
2.50E+7n/an/an/an/an/an/an/an/a



Hirosaki University

Curated by ChEMBL


Assay Description
Binding affinity to Humicola insolens NCE5 assessed as dissociation constant at pH 3.0 and at 59 degC by differential scanning calorimetry


Bioorg Med Chem 19: 3812-30 (2011)

More data for this
Ligand-Target Pair
Endoglucanase-5


(Humicola insolens)
BDBM50346886
PNG
(CHEMBL1797813)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](S[C@@H]2C=C(CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C20H34O14S/c1-31-19-16(30)14(28)18(8(5-23)33-19)35-9-2-6(3-21)17(13(27)11(9)25)34-20-15(29)12(26)10(24)7(4-22)32-20/h2,7-30H,3-5H2,1H3/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20+/m1/s1
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UniProtKB/SwissProt

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UniChem

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PubMed
2.90E+7n/an/an/an/an/an/an/an/a



Hirosaki University

Curated by ChEMBL


Assay Description
Binding affinity to Humicola insolens NCE5 assessed as dissociation constant at pH 3.0 and at 59 degC by differential scanning calorimetry


Bioorg Med Chem 19: 3812-30 (2011)

More data for this
Ligand-Target Pair
Endoglucanase-5


(Humicola insolens)
BDBM50346882
PNG
(CHEMBL1797809)
Show SMILES CO[C@H]1O[C@H](CO)[C@@H](S[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C19H34O15S/c1-30-17-13(28)11(26)16(7(4-22)32-17)35-19-14(29)10(25)15(6(3-21)33-19)34-18-12(27)9(24)8(23)5(2-20)31-18/h5-29H,2-4H2,1H3/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+,18+,19+/m1/s1
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>3.00E+7n/an/an/an/an/an/an/an/a



Hirosaki University

Curated by ChEMBL


Assay Description
Binding affinity to Humicola insolens NCE5 assessed as dissociation constant at pH 3.0 and at 59 degC by differential scanning calorimetry


Bioorg Med Chem 19: 3812-30 (2011)

More data for this
Ligand-Target Pair
Endoglucanase-5


(Humicola insolens)
BDBM50346883
PNG
(CHEMBL1797810)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](S[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C19H34O15S/c1-30-17-13(28)11(26)16(7(4-22)32-17)35-19-14(29)10(25)15(6(3-21)33-19)34-18-12(27)9(24)8(23)5(2-20)31-18/h5-29H,2-4H2,1H3/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17-,18+,19+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>3.00E+7n/an/an/an/an/an/an/an/a



Hirosaki University

Curated by ChEMBL


Assay Description
Binding affinity to Humicola insolens NCE5 assessed as dissociation constant at pH 3.0 and at 59 degC by differential scanning calorimetry


Bioorg Med Chem 19: 3812-30 (2011)

More data for this
Ligand-Target Pair