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PubMed code 20889348

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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
Glucosylceramidase


(Bos taurus)
BDBM50329782
PNG
((5R,6R,7S,8R,8aS)-3-(octylimino)hexahydro-1H-thiaz...)
Show SMILES CCCCCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12
Show InChI InChI=1S/C15H28N2O4S/c1-2-3-4-5-6-7-8-16-15-17-10(9-22-15)11(18)12(19)13(20)14(17)21/h10-14,18-21H,2-9H2,1H3/b16-15-/t10-,11-,12+,13-,14-/m1/s1
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3.70E+3n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucosidase after 10 to 30 mins


Bioorg Med Chem 18: 7439-45 (2010)


Article DOI: 10.1016/j.bmc.2010.09.003
BindingDB Entry DOI: 10.7270/Q2JS9QPK
More data for this
Ligand-Target Pair
Glucosylceramidase


(Bos taurus)
BDBM50329779
PNG
(5-N,6-S-[N'-(4-Dapoxylsulfonylamino)butyliminometh...)
Show SMILES CN(C)c1ccc(cc1)-c1cnc(o1)-c1cccc(c1)S(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12
Show InChI InChI=1S/C28H35N5O7S2/c1-32(2)19-10-8-17(9-11-19)22-15-30-26(40-22)18-6-5-7-20(14-18)42(38,39)31-13-4-3-12-29-28-33-21(16-41-28)23(34)24(35)25(36)27(33)37/h5-11,14-15,21,23-25,27,31,34-37H,3-4,12-13,16H2,1-2H3/b29-28-/t21-,23-,24+,25-,27-/m1/s1
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2.30E+4n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucosidase after 10 to 30 mins


Bioorg Med Chem 18: 7439-45 (2010)


Article DOI: 10.1016/j.bmc.2010.09.003
BindingDB Entry DOI: 10.7270/Q2JS9QPK
More data for this
Ligand-Target Pair
Glucosylceramidase


(Bos taurus)
BDBM50329783
PNG
(5-N,6-S-[N'-(4-Dansylamino)butyliminomethylidene]-...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12
Show InChI InChI=1S/C23H32N4O6S2/c1-26(2)16-9-5-8-15-14(16)7-6-10-18(15)35(32,33)25-12-4-3-11-24-23-27-17(13-34-23)19(28)20(29)21(30)22(27)31/h5-10,17,19-22,25,28-31H,3-4,11-13H2,1-2H3/b24-23-/t17-,19-,20+,21-,22-/m1/s1
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2.90E+4n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucosidase after 10 to 30 mins


Bioorg Med Chem 18: 7439-45 (2010)


Article DOI: 10.1016/j.bmc.2010.09.003
BindingDB Entry DOI: 10.7270/Q2JS9QPK
More data for this
Ligand-Target Pair
Glucosylceramidase


(Bos taurus)
BDBM50329780
PNG
(5-N,6-S-[N'-[4-(6-Dansylaminohexanamido)butyl]imin...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCS(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12
Show InChI InChI=1S/C28H43N5O8S3/c1-32(2)21-12-8-11-20-19(21)10-9-13-23(20)44(40,41)31-16-4-3-7-17-43(38,39)30-15-6-5-14-29-28-33-22(18-42-28)24(34)25(35)26(36)27(33)37/h8-13,22,24-27,30-31,34-37H,3-7,14-18H2,1-2H3/b29-28-/t22-,24-,25+,26-,27-/m1/s1
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3.20E+4n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucosidase after 10 to 30 mins


Bioorg Med Chem 18: 7439-45 (2010)


Article DOI: 10.1016/j.bmc.2010.09.003
BindingDB Entry DOI: 10.7270/Q2JS9QPK
More data for this
Ligand-Target Pair
Glucosylceramidase


(Bos taurus)
BDBM50329781
PNG
(5-N,6-S-[N'-[4-(7'-Diethylaminocoumarin-30-ylcarbo...)
Show SMILES CCN(CC)c1ccc2cc(c(=O)oc2c1)S(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12
Show InChI InChI=1S/C24H34N4O8S2/c1-3-27(4-2)15-8-7-14-11-18(23(33)36-17(14)12-15)38(34,35)26-10-6-5-9-25-24-28-16(13-37-24)19(29)20(30)21(31)22(28)32/h7-8,11-12,16,19-22,26,29-32H,3-6,9-10,13H2,1-2H3/b25-24-/t16-,19-,20+,21-,22-/m1/s1
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3.20E+4n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucosidase after 10 to 30 mins


Bioorg Med Chem 18: 7439-45 (2010)


Article DOI: 10.1016/j.bmc.2010.09.003
BindingDB Entry DOI: 10.7270/Q2JS9QPK
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM50329783
PNG
(5-N,6-S-[N'-(4-Dansylamino)butyliminomethylidene]-...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12
Show InChI InChI=1S/C23H32N4O6S2/c1-26(2)16-9-5-8-15-14(16)7-6-10-18(15)35(32,33)25-12-4-3-11-24-23-27-17(13-34-23)19(28)20(29)21(30)22(27)31/h5-10,17,19-22,25,28-31H,3-4,11-13H2,1-2H3/b24-23-/t17-,19-,20+,21-,22-/m1/s1
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2.46E+5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase after 10 to 30 mins


Bioorg Med Chem 18: 7439-45 (2010)


Article DOI: 10.1016/j.bmc.2010.09.003
BindingDB Entry DOI: 10.7270/Q2JS9QPK
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM50329781
PNG
(5-N,6-S-[N'-[4-(7'-Diethylaminocoumarin-30-ylcarbo...)
Show SMILES CCN(CC)c1ccc2cc(c(=O)oc2c1)S(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12
Show InChI InChI=1S/C24H34N4O8S2/c1-3-27(4-2)15-8-7-14-11-18(23(33)36-17(14)12-15)38(34,35)26-10-6-5-9-25-24-28-16(13-37-24)19(29)20(30)21(31)22(28)32/h7-8,11-12,16,19-22,26,29-32H,3-6,9-10,13H2,1-2H3/b25-24-/t16-,19-,20+,21-,22-/m1/s1
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3.13E+5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase after 10 to 30 mins


Bioorg Med Chem 18: 7439-45 (2010)


Article DOI: 10.1016/j.bmc.2010.09.003
BindingDB Entry DOI: 10.7270/Q2JS9QPK
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM50329780
PNG
(5-N,6-S-[N'-[4-(6-Dansylaminohexanamido)butyl]imin...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCS(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12
Show InChI InChI=1S/C28H43N5O8S3/c1-32(2)21-12-8-11-20-19(21)10-9-13-23(20)44(40,41)31-16-4-3-7-17-43(38,39)30-15-6-5-14-29-28-33-22(18-42-28)24(34)25(35)26(36)27(33)37/h8-13,22,24-27,30-31,34-37H,3-7,14-18H2,1-2H3/b29-28-/t22-,24-,25+,26-,27-/m1/s1
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4.51E+5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase after 10 to 30 mins


Bioorg Med Chem 18: 7439-45 (2010)


Article DOI: 10.1016/j.bmc.2010.09.003
BindingDB Entry DOI: 10.7270/Q2JS9QPK
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM50329779
PNG
(5-N,6-S-[N'-(4-Dapoxylsulfonylamino)butyliminometh...)
Show SMILES CN(C)c1ccc(cc1)-c1cnc(o1)-c1cccc(c1)S(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12
Show InChI InChI=1S/C28H35N5O7S2/c1-32(2)19-10-8-17(9-11-19)22-15-30-26(40-22)18-6-5-7-20(14-18)42(38,39)31-13-4-3-12-29-28-33-21(16-41-28)23(34)24(35)25(36)27(33)37/h5-11,14-15,21,23-25,27,31,34-37H,3-4,12-13,16H2,1-2H3/b29-28-/t21-,23-,24+,25-,27-/m1/s1
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7.14E+5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase after 10 to 30 mins


Bioorg Med Chem 18: 7439-45 (2010)


Article DOI: 10.1016/j.bmc.2010.09.003
BindingDB Entry DOI: 10.7270/Q2JS9QPK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%