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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-xylosidase'   
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-xylosidase


(Thermoanaerobacter saccharolyticum)
BDBM50182802
PNG
(5-(dimethylamino)-N-(6-((3R,4r,5S)-3,4,5-trihydrox...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)C1
Show InChI InChI=1S/C23H35N3O5S/c1-25(2)19-11-7-10-18-17(19)9-8-12-22(18)32(30,31)24-13-5-3-4-6-14-26-15-20(27)23(29)21(28)16-26/h7-12,20-21,23-24,27-29H,3-6,13-16H2,1-2H3/t20-,21+,23+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.60E+3n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of Thermoanaerobacterium saccharolyticum beta-xylosidase


Bioorg Med Chem Lett 16: 2067-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.095
BindingDB Entry DOI: 10.7270/Q26Q1WV2
More data for this
Ligand-Target Pair
Beta-xylosidase


(Thermoanaerobacter saccharolyticum)
BDBM50182798
PNG
((3R,4r,5S)-piperidine-3,4,5-triol | 1,5-Dideoxy-1,...)
Show SMILES O[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.06E+5n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of Thermoanaerobacterium saccharolyticum beta-xylosidase


Bioorg Med Chem Lett 16: 2067-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.095
BindingDB Entry DOI: 10.7270/Q26Q1WV2
More data for this
Ligand-Target Pair
Beta-xylosidase


(Aspergillus niger)
BDBM50096896
PNG
(2-phenyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)tet...)
Show SMILES N\C(Cc1ccccc1)=[NH+]/C1OC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C14H20N2O5/c15-10(6-8-4-2-1-3-5-8)16-14-13(20)12(19)11(18)9(7-17)21-14/h1-5,9,11-14,17-20H,6-7H2,(H2,15,16)/p+1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+6n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Compound was evaluated for the selective and competitive inhibition of Beta-xylosidase from A. pulverulentus


Bioorg Med Chem Lett 11: 467-70 (2001)


Article DOI: 10.1016/s0960-894x(00)00706-x
BindingDB Entry DOI: 10.7270/Q2R210N1
More data for this
Ligand-Target Pair