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PubMed code 26539626

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Beta-galactosidase


(Aspergillus oryzae)
BDBM50499768
PNG
(CHEMBL3740658)
Show SMILES COc1cc(OC)c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(\C=C\c2ccc(OC)c(OC)c2)c1 |r|
Show InChI InChI=1S/C24H30O10/c1-29-15-10-14(7-5-13-6-8-16(30-2)17(9-13)31-3)23(18(11-15)32-4)34-24-22(28)21(27)20(26)19(12-25)33-24/h5-11,19-22,24-28H,12H2,1-4H3/b7-5+/t19-,20-,21+,22-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.58E+5n/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus oryzae beta-galactosidase using oNP-beta-Gal as substrate assessed as release of o-nitrophenol incubated for 30 mins by spe...


J Nat Prod 78: 2675-83 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00619
BindingDB Entry DOI: 10.7270/Q2NZ8BNV
More data for this
Ligand-Target Pair
Beta-galactosidase


(Aspergillus oryzae)
BDBM50499767
PNG
(CHEMBL3741440)
Show SMILES COc1cc(OC)cc(\C=C\c2cc(OC)cc(OC)c2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1 |r|
Show InChI InChI=1S/C24H30O10/c1-29-15-7-13(8-16(10-15)30-2)5-6-14-9-17(31-3)11-18(32-4)23(14)34-24-22(28)21(27)20(26)19(12-25)33-24/h5-11,19-22,24-28H,12H2,1-4H3/b6-5+/t19-,20+,21+,22-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.96E+5n/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus oryzae beta-galactosidase using oNP-beta-Gal as substrate assessed as release of o-nitrophenol incubated for 30 mins by spe...


J Nat Prod 78: 2675-83 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00619
BindingDB Entry DOI: 10.7270/Q2NZ8BNV
More data for this
Ligand-Target Pair
Beta-galactosidase


(Aspergillus oryzae)
BDBM50499771
PNG
(CHEMBL3740283)
Show SMILES COc1cc(OC)cc(\C=C\c2cc(OC)cc(OC)c2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 |r|
Show InChI InChI=1S/C24H30O10/c1-29-15-7-13(8-16(10-15)30-2)5-6-14-9-17(31-3)11-18(32-4)23(14)34-24-22(28)21(27)20(26)19(12-25)33-24/h5-11,19-22,24-28H,12H2,1-4H3/b6-5+/t19-,20-,21+,22-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.97E+5n/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus oryzae beta-galactosidase using oNP-beta-Gal as substrate assessed as release of o-nitrophenol incubated for 30 mins by spe...


J Nat Prod 78: 2675-83 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00619
BindingDB Entry DOI: 10.7270/Q2NZ8BNV
More data for this
Ligand-Target Pair
Beta-galactosidase


(Aspergillus oryzae)
BDBM50499769
PNG
(CHEMBL3739825)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H28O9/c1-28-15-8-5-13(6-9-15)4-7-14-10-16(29-2)11-17(30-3)22(14)32-23-21(27)20(26)19(25)18(12-24)31-23/h4-11,18-21,23-27H,12H2,1-3H3/b7-4+/t18-,19+,20+,21-,23-/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.98E+5n/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus oryzae beta-galactosidase using oNP-beta-Gal as substrate assessed as release of o-nitrophenol incubated for 30 mins by spe...


J Nat Prod 78: 2675-83 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00619
BindingDB Entry DOI: 10.7270/Q2NZ8BNV
More data for this
Ligand-Target Pair
Beta-galactosidase


(Aspergillus oryzae)
BDBM50499770
PNG
(CHEMBL3742045)
Show SMILES COc1cc(OC)c(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(\C=C\c2ccc(OC)c(OC)c2)c1 |r|
Show InChI InChI=1S/C24H30O10/c1-29-15-10-14(7-5-13-6-8-16(30-2)17(9-13)31-3)23(18(11-15)32-4)34-24-22(28)21(27)20(26)19(12-25)33-24/h5-11,19-22,24-28H,12H2,1-4H3/b7-5+/t19-,20+,21+,22-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.99E+5n/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus oryzae beta-galactosidase using oNP-beta-Gal as substrate assessed as release of o-nitrophenol incubated for 30 mins by spe...


J Nat Prod 78: 2675-83 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00619
BindingDB Entry DOI: 10.7270/Q2NZ8BNV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%