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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-galactosidase' and Ligand = 'BDBM50358321'   
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


(Homo sapiens)
BDBM50358321
PNG
(CHEMBL1922579 | CHEMBL1922581)
Show SMILES CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14+,15+/m1/s1
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PC cid
PC sid
PDB
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PDB
Article
PubMed
300n/an/an/an/an/an/an/an/a



Amicus Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human beta galactosidase


J Med Chem 56: 2705-25 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50358321
PNG
(CHEMBL1922579 | CHEMBL1922581)
Show SMILES CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14+,15+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PubMed
870n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase


Citation and Details
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50358321
PNG
(CHEMBL1922579 | CHEMBL1922581)
Show SMILES CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14+,15+/m1/s1
PDB

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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
PDB
UniChem

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PDB
PubMed
n/an/a 125n/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-galactosidase using 4-MU beta-gal as substrate incubated for 96 hrs by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)