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PubMed code 19931460

Compile data set for download or QSAR
Found 6 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
Beta-glucosidase


(Homo sapiens)
BDBM50308672
PNG
(CHEMBL590070 | N-(Propylamide-benzophenone)-1-deox...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCNC(=O)c1ccc(cc1)C(=O)c1ccc(OCC#C)cc1
Show InChI InChI=1S/C26H30N2O7/c1-2-14-35-20-10-8-18(9-11-20)23(31)17-4-6-19(7-5-17)26(34)27-12-3-13-28-15-22(30)25(33)24(32)21(28)16-29/h1,4-11,21-22,24-25,29-30,32-33H,3,12-16H2,(H,27,34)/t21-,22+,24-,25-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferyl from non-lysosomal GBA2 by fluorometry


Bioorg Med Chem 18: 267-73 (2010)


Article DOI: 10.1016/j.bmc.2009.10.060
BindingDB Entry DOI: 10.7270/Q2ZC82ZH
More data for this
Ligand-Target Pair
Beta-glucosidase


(Homo sapiens)
BDBM50308673
PNG
(CHEMBL589341 | N-(Propylamide-acetophenone)-1-deox...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCNC(=O)CCC(=O)c1ccc(OCC#C)cc1
Show InChI InChI=1S/C22H30N2O7/c1-2-12-31-16-6-4-15(5-7-16)18(26)8-9-20(28)23-10-3-11-24-13-19(27)22(30)21(29)17(24)14-25/h1,4-7,17,19,21-22,25,27,29-30H,3,8-14H2,(H,23,28)/t17-,19+,21-,22-/m1/s1
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n/an/a 75n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferyl from non-lysosomal GBA2 by fluorometry


Bioorg Med Chem 18: 267-73 (2010)


Article DOI: 10.1016/j.bmc.2009.10.060
BindingDB Entry DOI: 10.7270/Q2ZC82ZH
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50308672
PNG
(CHEMBL590070 | N-(Propylamide-benzophenone)-1-deox...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCNC(=O)c1ccc(cc1)C(=O)c1ccc(OCC#C)cc1
Show InChI InChI=1S/C26H30N2O7/c1-2-14-35-20-10-8-18(9-11-20)23(31)17-4-6-19(7-5-17)26(34)27-12-3-13-28-15-22(30)25(33)24(32)21(28)16-29/h1,4-11,21-22,24-25,29-30,32-33H,3,12-16H2,(H,27,34)/t21-,22+,24-,25-/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferyl from human GBA by fluorometry


Bioorg Med Chem 18: 267-73 (2010)


Article DOI: 10.1016/j.bmc.2009.10.060
BindingDB Entry DOI: 10.7270/Q2ZC82ZH
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50308673
PNG
(CHEMBL589341 | N-(Propylamide-acetophenone)-1-deox...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCNC(=O)CCC(=O)c1ccc(OCC#C)cc1
Show InChI InChI=1S/C22H30N2O7/c1-2-12-31-16-6-4-15(5-7-16)18(26)8-9-20(28)23-10-3-11-24-13-19(27)22(30)21(29)17(24)14-25/h1,4-7,17,19,21-22,25,27,29-30H,3,8-14H2,(H,23,28)/t17-,19+,21-,22-/m1/s1
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n/an/a 1.65E+3n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferyl from human GBA by fluorometry


Bioorg Med Chem 18: 267-73 (2010)


Article DOI: 10.1016/j.bmc.2009.10.060
BindingDB Entry DOI: 10.7270/Q2ZC82ZH
More data for this
Ligand-Target Pair
Beta-glucosidase


(Homo sapiens)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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Article
PubMed
n/an/a 2.88E+4n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferyl from non-lysosomal GBA2 by fluorometry


Bioorg Med Chem 18: 267-73 (2010)


Article DOI: 10.1016/j.bmc.2009.10.060
BindingDB Entry DOI: 10.7270/Q2ZC82ZH
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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Article
PubMed
n/an/a 5.06E+5n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferyl from human GBA by fluorometry


Bioorg Med Chem 18: 267-73 (2010)


Article DOI: 10.1016/j.bmc.2009.10.060
BindingDB Entry DOI: 10.7270/Q2ZC82ZH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%