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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Beta-galactosidase' AND taxid = 351627   
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
Beta-galactosidase


(Caldicellulosiruptor saccharolyticus (strain ATCC ...)
BDBM50214382
PNG
(CHEMBL226576 | [(1S*,2R*,3R*,5R*,7S*,7a*R)-3,5-dih...)
Show SMILES OC[C@@H]1C[C@H](O)[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12
Show InChI InChI=1S/C9H17NO5/c11-2-4-1-6(13)7-9(15)8(14)5(3-12)10(4)7/h4-9,11-15H,1-3H2/t4-,5+,6-,7+,8+,9-/m0/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of Caldicellulosiruptor saccharolyticus beta galactosidase


J Nat Prod 70: 993-7 (2007)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Caldicellulosiruptor saccharolyticus (strain ATCC ...)
BDBM50214379
PNG
(CHEMBL226683 | [(1S*,2R*,3R*,5S*,7R*,7a*R)-3,5-dih...)
Show SMILES OC[C@@H]1C[C@@H](O)[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12
Show InChI InChI=1S/C9H17NO5/c11-2-4-1-6(13)7-9(15)8(14)5(3-12)10(4)7/h4-9,11-15H,1-3H2/t4-,5+,6+,7+,8+,9-/m0/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of Caldicellulosiruptor saccharolyticus beta galactosidase


J Nat Prod 70: 993-7 (2007)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Caldicellulosiruptor saccharolyticus (strain ATCC ...)
BDBM50214377
PNG
(CHEMBL227057 | [(1R*,2R*,3R*,5S*,6S*,7S*,7a*R)-3-h...)
Show SMILES C[C@H]1[C@H](O)[C@@H](O)[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)N12
Show InChI InChI=1S/C9H17NO5/c1-3-6(12)8(14)5-9(15)7(13)4(2-11)10(3)5/h3-9,11-15H,2H2,1H3/t3-,4+,5+,6-,7+,8-,9+/m0/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4.80E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of Caldicellulosiruptor saccharolyticus beta galactosidase


J Nat Prod 70: 993-7 (2007)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Caldicellulosiruptor saccharolyticus (strain ATCC ...)
BDBM50214378
PNG
(CHEMBL376799 | beta-1-C-ethyl-1-deoxymannojirimyci...)
Show SMILES CC[C@@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C8H17NO4/c1-2-4-6(11)8(13)7(12)5(3-10)9-4/h4-13H,2-3H2,1H3/t4-,5+,6+,7+,8+/m0/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.10E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of Caldicellulosiruptor saccharolyticus beta galactosidase


J Nat Prod 70: 993-7 (2007)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Caldicellulosiruptor saccharolyticus (strain ATCC ...)
BDBM50214383
PNG
(CHEMBL388095 | [(1S*,2R*,3R*,5R*,6R*,7R*,7a*R)-3-h...)
Show SMILES C[C@@H]1[C@@H](O)[C@H](O)[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12
Show InChI InChI=1S/C9H17NO5/c1-3-6(12)8(14)5-9(15)7(13)4(2-11)10(3)5/h3-9,11-15H,2H2,1H3/t3-,4-,5-,6-,7-,8-,9+/m1/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 6.60E+5n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of Caldicellulosiruptor saccharolyticus beta galactosidase


J Nat Prod 70: 993-7 (2007)

More data for this
Ligand-Target Pair