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Compile Data Set for Download or QSAR

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


(Blautia obeum)
BDBM50412283
PNG
(CHEMBL476314)
Show SMILES COc1cc2oc(cc(=O)c2c(O)c1O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H12O7/c1-22-13-6-12-14(16(21)15(13)20)10(19)5-11(23-12)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3
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UniProtKB/TrEMBL

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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.00E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of recombinant Ruminococcus obeum ATCC 29174 alpha-glucosidase expressed in Escherichia coli BL21(DE3) using p-nitrophenyl-alpha-D-glucopy...


J Nat Prod 80: 1584-1593 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00155
BindingDB Entry DOI: 10.7270/Q2571FH2
More data for this
Ligand-Target Pair
Alpha-xylosidase


(Blautia obeum)
BDBM50270473
PNG
(CHEMBL4127208)
Show SMILES [H][C@@]1(C[C@@]2([H])[C@@]3(COC(=O)C3=C1)CC[C@@H](C)[C@@]2(C)CCc1ccoc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,c:11|
Show InChI InChI=1S/C26H36O9/c1-14-3-7-26-13-33-23(31)17(26)9-16(34-24-22(30)21(29)20(28)18(11-27)35-24)10-19(26)25(14,2)6-4-15-5-8-32-12-15/h5,8-9,12,14,16,18-22,24,27-30H,3-4,6-7,10-11,13H2,1-2H3/t14-,16-,18-,19-,20-,21+,22-,24-,25-,26-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+5n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of recombinant Ruminococcus obeum ATCC 29174 alpha-glucosidase expressed in Escherichia coli BL21(DE3) using p-nitrophenyl-alpha-D-glucopy...


J Nat Prod 80: 1584-1593 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00155
BindingDB Entry DOI: 10.7270/Q2571FH2
More data for this
Ligand-Target Pair
Alpha-xylosidase


(Blautia obeum)
BDBM23406
PNG
((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37|
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.03E+6n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of recombinant Ruminococcus obeum ATCC 29174 alpha-glucosidase expressed in Escherichia coli BL21(DE3) using p-nitrophenyl-alpha-D-glucopy...


J Nat Prod 80: 1584-1593 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00155
BindingDB Entry DOI: 10.7270/Q2571FH2
More data for this
Ligand-Target Pair