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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-galactosidase' and Ligand = 'BDBM50261437'   
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


(Bos taurus (Bovine))
BDBM50261437
PNG
(CHEMBL3359669)
Show SMILES OC[C@H]1N\C(=N/Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C13H18N2O4/c16-7-9-10(17)11(18)12(19)13(15-9)14-6-8-4-2-1-3-5-8/h1-5,9-12,16-19H,6-7H2,(H,14,15)/t9-,10+,11+,12-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0500n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...


Bioorg Med Chem 25: 5194-5202 (2017)


Article DOI: 10.1016/j.bmc.2017.07.020
BindingDB Entry DOI: 10.7270/Q2QF8WBW
More data for this
Ligand-Target Pair
Beta-galactosidase


(Aspergillus oryzae)
BDBM50261437
PNG
(CHEMBL3359669)
Show SMILES OC[C@H]1N\C(=N/Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C13H18N2O4/c16-7-9-10(17)11(18)12(19)13(15-9)14-6-8-4-2-1-3-5-8/h1-5,9-12,16-19H,6-7H2,(H,14,15)/t9-,10+,11+,12-/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
21n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus oryzae beta-galactosidase using 2-chloro-4-nitrophenyl beta-Dgalactopyranoside as substrate by spectrophotometry


J Med Chem 57: 8999-9009 (2014)


Article DOI: 10.1021/jm501111y
BindingDB Entry DOI: 10.7270/Q2VD72DC
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50261437
PNG
(CHEMBL3359669)
Show SMILES OC[C@H]1N\C(=N/Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C13H18N2O4/c16-7-9-10(17)11(18)12(19)13(15-9)14-6-8-4-2-1-3-5-8/h1-5,9-12,16-19H,6-7H2,(H,14,15)/t9-,10+,11+,12-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside substrate measured over 240 mins at 10 mins intervals by U...


Bioorg Med Chem 25: 5194-5202 (2017)


Article DOI: 10.1016/j.bmc.2017.07.020
BindingDB Entry DOI: 10.7270/Q2QF8WBW
More data for this
Ligand-Target Pair