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PubMed code 26230970

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
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
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50104671
PNG
(CHEMBL3593568)
Show SMILES Cc1cc(O)c(O)cc1-c1cc(O)cc(O)c1
Show InChI InChI=1S/C13H12O4/c1-7-2-12(16)13(17)6-11(7)8-3-9(14)5-10(15)4-8/h2-6,14-17H,1H3
PDB

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PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) pre-incubated for 20 mins before p-nitrophenyl glycoside substrate addition


J Nat Prod 78: 1816-22 (2015)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50104669
PNG
(CHEMBL3593570)
Show SMILES COC(=O)c1cc(OC)cc(OC)c1C(=O)c1coc2c1OC(C)CC2=O
Show InChI InChI=1/C19H18O8/c1-9-5-13(20)18-17(27-9)12(8-26-18)16(21)15-11(19(22)25-4)6-10(23-2)7-14(15)24-3/h6-9H,5H2,1-4H3
PDB

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PubMed
n/an/a 1.44E+4n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) pre-incubated for 20 mins before p-nitrophenyl glycoside substrate addition


J Nat Prod 78: 1816-22 (2015)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50104724
PNG
(CHEMBL3593566)
Show SMILES C\C=C\C1=CC2=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)C2=CO1
Show InChI InChI=1/C21H20O7/c1-4-5-14-7-12-8-17(24)21(3,26)19(15(12)10-27-14)28-20(25)18-11(2)6-13(22)9-16(18)23/h4-10,19,22-23,26H,1-3H3/b5-4+/t19-,21+/s2
PDB

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PubMed
n/an/a 1.66E+4n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) pre-incubated for 20 mins before p-nitrophenyl glycoside substrate addition


J Nat Prod 78: 1816-22 (2015)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50104725
PNG
(CHEMBL3593565)
Show SMILES Cc1cc(O)cc(O)c1C(=O)O[C@H]1[C@@H]2COC(\C=C\C(O)=O)=CC2=CC(=O)[C@]1(C)O
Show InChI InChI=1/C21H20O9/c1-10-5-12(22)8-15(23)18(10)20(27)30-19-14-9-29-13(3-4-17(25)26)6-11(14)7-16(24)21(19,2)28/h3-8,14,19,22-23,28H,9H2,1-2H3,(H,25,26)/b4-3+/t14-,19+,21+/s2
PDB

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n/an/a 2.80E+4n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) pre-incubated for 20 mins before p-nitrophenyl glycoside substrate addition


J Nat Prod 78: 1816-22 (2015)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50104726
PNG
(CHEMBL3593564)
Show SMILES Cc1cc(O)cc(O)c1C(=O)O[C@@]1(C)[C@H](O)CC2=C(COC(\C=C\C(O)=O)=C2)C1=O
Show InChI InChI=1/C21H20O9/c1-10-5-12(22)8-15(23)18(10)20(28)30-21(2)16(24)7-11-6-13(3-4-17(25)26)29-9-14(11)19(21)27/h3-6,8,16,22-24H,7,9H2,1-2H3,(H,25,26)/b4-3+/t16-,21+/s2
PDB

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PubMed
n/an/a 8.17E+4n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) pre-incubated for 20 mins before p-nitrophenyl glycoside substrate addition


J Nat Prod 78: 1816-22 (2015)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50104645
PNG
(CHEBI:32807 | ORSELLINIC ACID | Orsellinic Acid)
Show SMILES Cc1cc(O)cc(O)c1C(O)=O
Show InChI InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)
PDB

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) pre-incubated for 20 mins before p-nitrophenyl glycoside substrate addition


J Nat Prod 78: 1816-22 (2015)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50104670
PNG
(CHEMBL3593569)
Show SMILES COC(=O)c1cc(OC)cc(OC)c1C(=O)c1c[nH]c(\C=C\C)c(OC)c1=O
Show InChI InChI=1S/C20H21NO7/c1-6-7-14-19(27-4)18(23)13(10-21-14)17(22)16-12(20(24)28-5)8-11(25-2)9-15(16)26-3/h6-10H,1-5H3,(H,21,23)/b7-6+
PDB

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) pre-incubated for 20 mins before p-nitrophenyl glycoside substrate addition


J Nat Prod 78: 1816-22 (2015)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50104667
PNG
(5-Methyl Resorcinol | 5-Methylresorcinol | CHEBI:1...)
Show SMILES Cc1cc(O)cc(O)c1
Show InChI InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
PDB

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) pre-incubated for 20 mins before p-nitrophenyl glycoside substrate addition


J Nat Prod 78: 1816-22 (2015)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50104672
PNG
(CHEMBL3593567)
Show SMILES CC1=C(C(=O)[C@@H](O)C1)c1cc(O)cc(O)c1
Show InChI InChI=1/C12H12O4/c1-6-2-10(15)12(16)11(6)7-3-8(13)5-9(14)4-7/h3-5,10,13-15H,2H2,1H3/t10-/s2
PDB

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) pre-incubated for 20 mins before p-nitrophenyl glycoside substrate addition


J Nat Prod 78: 1816-22 (2015)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50104668
PNG
(CHEMBL3593571)
Show SMILES COC(=O)c1cc(OC)cc(OC)c1C(=O)c1coc(\C=C\C)c(OC)c1=O
Show InChI InChI=1S/C20H20O8/c1-6-7-14-19(26-4)18(22)13(10-28-14)17(21)16-12(20(23)27-5)8-11(24-2)9-15(16)25-3/h6-10H,1-5H3/b7-6+
PDB

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) pre-incubated for 20 mins before p-nitrophenyl glycoside substrate addition


J Nat Prod 78: 1816-22 (2015)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50333465
PNG
((2R,3R,4R,5R,6R)-5-((2R,3R,4R,5S,6R)-5-((2R,3R,4S,...)
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)O[C@@H](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
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

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CHEMBL
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PubMed
n/an/a 4.47E+5n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) pre-incubated for 20 mins before p-nitrophenyl glycoside substrate addition


J Nat Prod 78: 1816-22 (2015)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%