BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50039159   
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
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318564
PNG
((1R,2S,3r,4R,5S,6s)-6-((1-dodecyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C21H40N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-25-14-15(23-24-25)13-22-16-17(26)19(28)21(30)20(29)18(16)27/h14,16-22,26-30H,2-13H2,1H3/t16-,17-,18+,19+,20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
60n/an/an/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Competitive inhibition of beta-glucocerebrosidase at pH 5.2 by Lineweaver-Burke plot analysis


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318563
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Tetradecyl-1H-1,2,3-tria...)
Show SMILES CCCCCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C23H44N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-16-17(25-26-27)15-24-18-19(28)21(30)23(32)22(31)20(18)29/h16,18-24,28-32H,2-15H2,1H3/t18-,19-,20+,21+,22-,23-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
80n/an/an/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Competitive inhibition of beta-glucocerebrosidase at pH 5.2 by Lineweaver-Burke plot analysis


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318562
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Decyl-1H-1,2,3-triazol-4...)
Show SMILES CCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C19H36N4O5/c1-2-3-4-5-6-7-8-9-10-23-12-13(21-22-23)11-20-14-15(24)17(26)19(28)18(27)16(14)25/h12,14-20,24-28H,2-11H2,1H3/t14-,15-,16+,17+,18-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
90n/an/an/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Competitive inhibition of beta-glucocerebrosidase at pH 5.2 by Lineweaver-Burke plot analysis


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
300n/an/an/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Competitive inhibition of beta-glucocerebrosidase at pH 5.2 by Lineweaver-Burke plot analysis


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318560
PNG
(CHEMBL1083795 | N-decylaminocyclitol)
Show SMILES CCCCCCCCCCN[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H33NO5/c1-2-3-4-5-6-7-8-9-10-17-11-12(18)14(20)16(22)15(21)13(11)19/h11-22H,2-10H2,1H3/t11-,12-,13+,14+,15-,16-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
300n/an/an/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Competitive inhibition of beta-glucocerebrosidase at pH 5.2 by Lineweaver-Burke plot analysis


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318561
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Nonyl-1H-1,2,3-triazol-4...)
Show SMILES CCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C18H34N4O5/c1-2-3-4-5-6-7-8-9-22-11-12(20-21-22)10-19-13-14(23)16(25)18(27)17(26)15(13)24/h11,13-19,23-27H,2-10H2,1H3/t13-,14-,15+,16+,17-,18-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
330n/an/an/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Competitive inhibition of beta-glucocerebrosidase at pH 5.2 by Lineweaver-Burke plot analysis


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318559
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Octyl-1H-1,2,3-triazol-4...)
Show SMILES CCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C17H32N4O5/c1-2-3-4-5-6-7-8-21-10-11(19-20-21)9-18-12-13(22)15(24)17(26)16(25)14(12)23/h10,12-18,22-26H,2-9H2,1H3/t12-,13-,14+,15+,16-,17-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80E+3n/an/an/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Competitive inhibition of beta-glucocerebrosidase at pH 5.2 by Lineweaver-Burke plot analysis


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318558
PNG
((1R,2S,3r,4R,5S,6s)-6-((1-(6-propoxyhexyl)-1H-1,2,...)
Show SMILES CCCOCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C18H34N4O6/c1-2-8-28-9-6-4-3-5-7-22-11-12(20-21-22)10-19-13-14(23)16(25)18(27)17(26)15(13)24/h11,13-19,23-27H,2-10H2,1H3/t13-,14-,15+,16+,17-,18-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40E+3n/an/an/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Competitive inhibition of beta-glucocerebrosidase at pH 5.2 by Lineweaver-Burke plot analysis


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318557
PNG
((1R,2S,3r,4R,5S,6s)-6-(3-(1-decyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCCCn1cc(CCCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C21H40N4O5/c1-2-3-4-5-6-7-8-9-13-25-14-15(23-24-25)11-10-12-22-16-17(26)19(28)21(30)20(29)18(16)27/h14,16-22,26-30H,2-13H2,1H3/t16-,17-,18+,19+,20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.60E+3n/an/an/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Competitive inhibition of beta-glucocerebrosidase at pH 5.2 by Lineweaver-Burke plot analysis


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318556
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Phenethyl-1H-1,2,3-triaz...)
Show SMILES O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CCc3ccccc3)nn2)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C17H24N4O5/c22-13-12(14(23)16(25)17(26)15(13)24)18-8-11-9-21(20-19-11)7-6-10-4-2-1-3-5-10/h1-5,9,12-18,22-26H,6-8H2/t12-,13-,14+,15+,16-,17-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.91E+4n/an/an/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Competitive inhibition of beta-glucocerebrosidase at pH 5.2 by Lineweaver-Burke plot analysis


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318554
PNG
((1R,2S,3r,4R,5S,6s)-6-(3-(1-octyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCn1cc(CCCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C19H36N4O5/c1-2-3-4-5-6-7-11-23-12-13(21-22-23)9-8-10-20-14-15(24)17(26)19(28)18(27)16(14)25/h12,14-20,24-28H,2-11H2,1H3/t14-,15-,16+,17+,18-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.99E+4n/an/an/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Competitive inhibition of beta-glucocerebrosidase at pH 5.2 by Lineweaver-Burke plot analysis


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318555
PNG
((1R,2S,3r,4R,5S,6s)-6-[2-(1-Undecyl-1H-1,2,3-triaz...)
Show SMILES CCCCCCCCCCCn1cc(CCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C21H40N4O5/c1-2-3-4-5-6-7-8-9-10-13-25-14-15(23-24-25)11-12-22-16-17(26)19(28)21(30)20(29)18(16)27/h14,16-22,26-30H,2-13H2,1H3/t16-,17-,18+,19+,20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.02E+4n/an/an/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Competitive inhibition of beta-glucocerebrosidase at pH 5.2 by Lineweaver-Burke plot analysis


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318564
PNG
((1R,2S,3r,4R,5S,6s)-6-((1-dodecyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C21H40N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-25-14-15(23-24-25)13-22-16-17(26)19(28)21(30)20(29)18(16)27/h14,16-22,26-30H,2-13H2,1H3/t16-,17-,18+,19+,20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 5.2 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318564
PNG
((1R,2S,3r,4R,5S,6s)-6-((1-dodecyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C21H40N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-25-14-15(23-24-25)13-22-16-17(26)19(28)21(30)20(29)18(16)27/h14,16-22,26-30H,2-13H2,1H3/t16-,17-,18+,19+,20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30.2n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318564
PNG
((1R,2S,3r,4R,5S,6s)-6-((1-dodecyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C21H40N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-25-14-15(23-24-25)13-22-16-17(26)19(28)21(30)20(29)18(16)27/h14,16-22,26-30H,2-13H2,1H3/t16-,17-,18+,19+,20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/a7.4n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 7.4 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318563
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Tetradecyl-1H-1,2,3-tria...)
Show SMILES CCCCCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C23H44N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-16-17(25-26-27)15-24-18-19(28)21(30)23(32)22(31)20(18)29/h16,18-24,28-32H,2-15H2,1H3/t18-,19-,20+,21+,22-,23-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 89.1n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318562
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Decyl-1H-1,2,3-triazol-4...)
Show SMILES CCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C19H36N4O5/c1-2-3-4-5-6-7-8-9-10-23-12-13(21-22-23)11-20-14-15(24)17(26)19(28)18(27)16(14)25/h12,14-20,24-28H,2-11H2,1H3/t14-,15-,16+,17+,18-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/an/an/an/a7.4n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 7.4 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318563
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Tetradecyl-1H-1,2,3-tria...)
Show SMILES CCCCCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C23H44N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-16-17(25-26-27)15-24-18-19(28)21(30)23(32)22(31)20(18)29/h16,18-24,28-32H,2-15H2,1H3/t18-,19-,20+,21+,22-,23-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 5.2 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318562
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Decyl-1H-1,2,3-triazol-4...)
Show SMILES CCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C19H36N4O5/c1-2-3-4-5-6-7-8-9-10-23-12-13(21-22-23)11-20-14-15(24)17(26)19(28)18(27)16(14)25/h12,14-20,24-28H,2-11H2,1H3/t14-,15-,16+,17+,18-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 93.3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318562
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Decyl-1H-1,2,3-triazol-4...)
Show SMILES CCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C19H36N4O5/c1-2-3-4-5-6-7-8-9-10-23-12-13(21-22-23)11-20-14-15(24)17(26)19(28)18(27)16(14)25/h12,14-20,24-28H,2-11H2,1H3/t14-,15-,16+,17+,18-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 5.2 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318563
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Tetradecyl-1H-1,2,3-tria...)
Show SMILES CCCCCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C23H44N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-16-17(25-26-27)15-24-18-19(28)21(30)23(32)22(31)20(18)29/h16,18-24,28-32H,2-15H2,1H3/t18-,19-,20+,21+,22-,23-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/a7.4n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 7.4 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318561
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Nonyl-1H-1,2,3-triazol-4...)
Show SMILES CCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C18H34N4O5/c1-2-3-4-5-6-7-8-9-22-11-12(20-21-22)10-19-13-14(23)16(25)18(27)17(26)15(13)24/h11,13-19,23-27H,2-10H2,1H3/t13-,14-,15+,16+,17-,18-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/a7.4n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 7.4 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318561
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Nonyl-1H-1,2,3-triazol-4...)
Show SMILES CCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C18H34N4O5/c1-2-3-4-5-6-7-8-9-22-11-12(20-21-22)10-19-13-14(23)16(25)18(27)17(26)15(13)24/h11,13-19,23-27H,2-10H2,1H3/t13-,14-,15+,16+,17-,18-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 5.2 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318561
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Nonyl-1H-1,2,3-triazol-4...)
Show SMILES CCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C18H34N4O5/c1-2-3-4-5-6-7-8-9-22-11-12(20-21-22)10-19-13-14(23)16(25)18(27)17(26)15(13)24/h11,13-19,23-27H,2-10H2,1H3/t13-,14-,15+,16+,17-,18-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 224n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 300n/an/an/an/a7.4n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 7.4 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 660n/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 5.2 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318559
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Octyl-1H-1,2,3-triazol-4...)
Show SMILES CCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C17H32N4O5/c1-2-3-4-5-6-7-8-21-10-11(19-20-21)9-18-12-13(22)15(24)17(26)16(25)14(12)23/h10,12-18,22-26H,2-9H2,1H3/t12-,13-,14+,15+,16-,17-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 5.2 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318559
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Octyl-1H-1,2,3-triazol-4...)
Show SMILES CCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C17H32N4O5/c1-2-3-4-5-6-7-8-21-10-11(19-20-21)9-18-12-13(22)15(24)17(26)16(25)14(12)23/h10,12-18,22-26H,2-9H2,1H3/t12-,13-,14+,15+,16-,17-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318559
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Octyl-1H-1,2,3-triazol-4...)
Show SMILES CCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C17H32N4O5/c1-2-3-4-5-6-7-8-21-10-11(19-20-21)9-18-12-13(22)15(24)17(26)16(25)14(12)23/h10,12-18,22-26H,2-9H2,1H3/t12-,13-,14+,15+,16-,17-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/a7.4n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 7.4 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318557
PNG
((1R,2S,3r,4R,5S,6s)-6-(3-(1-decyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCCCn1cc(CCCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C21H40N4O5/c1-2-3-4-5-6-7-8-9-13-25-14-15(23-24-25)11-10-12-22-16-17(26)19(28)21(30)20(29)18(16)27/h14,16-22,26-30H,2-13H2,1H3/t16-,17-,18+,19+,20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/a7.4n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 7.4 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318560
PNG
(CHEMBL1083795 | N-decylaminocyclitol)
Show SMILES CCCCCCCCCCN[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H33NO5/c1-2-3-4-5-6-7-8-9-10-17-11-12(18)14(20)16(22)15(21)13(11)19/h11-22H,2-10H2,1H3/t11-,12-,13+,14+,15-,16-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 5.2 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318557
PNG
((1R,2S,3r,4R,5S,6s)-6-(3-(1-decyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCCCn1cc(CCCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C21H40N4O5/c1-2-3-4-5-6-7-8-9-13-25-14-15(23-24-25)11-10-12-22-16-17(26)19(28)21(30)20(29)18(16)27/h14,16-22,26-30H,2-13H2,1H3/t16-,17-,18+,19+,20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.47E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318557
PNG
((1R,2S,3r,4R,5S,6s)-6-(3-(1-decyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCCCn1cc(CCCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C21H40N4O5/c1-2-3-4-5-6-7-8-9-13-25-14-15(23-24-25)11-10-12-22-16-17(26)19(28)21(30)20(29)18(16)27/h14,16-22,26-30H,2-13H2,1H3/t16-,17-,18+,19+,20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 5.2 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318555
PNG
((1R,2S,3r,4R,5S,6s)-6-[2-(1-Undecyl-1H-1,2,3-triaz...)
Show SMILES CCCCCCCCCCCn1cc(CCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C21H40N4O5/c1-2-3-4-5-6-7-8-9-10-13-25-14-15(23-24-25)11-12-22-16-17(26)19(28)21(30)20(29)18(16)27/h14,16-22,26-30H,2-13H2,1H3/t16-,17-,18+,19+,20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.90E+3n/an/an/an/a7.4n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 7.4 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318558
PNG
((1R,2S,3r,4R,5S,6s)-6-((1-(6-propoxyhexyl)-1H-1,2,...)
Show SMILES CCCOCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C18H34N4O6/c1-2-8-28-9-6-4-3-5-7-22-11-12(20-21-22)10-19-13-14(23)16(25)18(27)17(26)15(13)24/h11,13-19,23-27H,2-10H2,1H3/t13-,14-,15+,16+,17-,18-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20E+3n/an/an/an/a7.4n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 7.4 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318558
PNG
((1R,2S,3r,4R,5S,6s)-6-((1-(6-propoxyhexyl)-1H-1,2,...)
Show SMILES CCCOCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C18H34N4O6/c1-2-8-28-9-6-4-3-5-7-22-11-12(20-21-22)10-19-13-14(23)16(25)18(27)17(26)15(13)24/h11,13-19,23-27H,2-10H2,1H3/t13-,14-,15+,16+,17-,18-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.40E+3n/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 5.2 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318556
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Phenethyl-1H-1,2,3-triaz...)
Show SMILES O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CCc3ccccc3)nn2)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C17H24N4O5/c22-13-12(14(23)16(25)17(26)15(13)24)18-8-11-9-21(20-19-11)7-6-10-4-2-1-3-5-10/h1-5,9,12-18,22-26H,6-8H2/t12-,13-,14+,15+,16-,17-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.07E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318556
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Phenethyl-1H-1,2,3-triaz...)
Show SMILES O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CCc3ccccc3)nn2)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C17H24N4O5/c22-13-12(14(23)16(25)17(26)15(13)24)18-8-11-9-21(20-19-11)7-6-10-4-2-1-3-5-10/h1-5,9,12-18,22-26H,6-8H2/t12-,13-,14+,15+,16-,17-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.08E+4n/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 5.2 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318553
PNG
((1R,2S,3r,4R,5S,6s)-6-[2-(1-Nonyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCCn1cc(CCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C19H36N4O5/c1-2-3-4-5-6-7-8-11-23-12-13(21-22-23)9-10-20-14-15(24)17(26)19(28)18(27)16(14)25/h12,14-20,24-28H,2-11H2,1H3/t14-,15-,16+,17+,18-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/a7.4n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 7.4 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318558
PNG
((1R,2S,3r,4R,5S,6s)-6-((1-(6-propoxyhexyl)-1H-1,2,...)
Show SMILES CCCOCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C18H34N4O6/c1-2-8-28-9-6-4-3-5-7-22-11-12(20-21-22)10-19-13-14(23)16(25)18(27)17(26)15(13)24/h11,13-19,23-27H,2-10H2,1H3/t13-,14-,15+,16+,17-,18-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.38E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318554
PNG
((1R,2S,3r,4R,5S,6s)-6-(3-(1-octyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCn1cc(CCCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C19H36N4O5/c1-2-3-4-5-6-7-11-23-12-13(21-22-23)9-8-10-20-14-15(24)17(26)19(28)18(27)16(14)25/h12,14-20,24-28H,2-11H2,1H3/t14-,15-,16+,17+,18-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.82E+4n/an/an/an/a7.4n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 7.4 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318556
PNG
((1R,2S,3r,4R,5S,6s)-6-[(1-Phenethyl-1H-1,2,3-triaz...)
Show SMILES O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CCc3ccccc3)nn2)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C17H24N4O5/c22-13-12(14(23)16(25)17(26)15(13)24)18-8-11-9-21(20-19-11)7-6-10-4-2-1-3-5-10/h1-5,9,12-18,22-26H,6-8H2/t12-,13-,14+,15+,16-,17-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+4n/an/an/an/a7.4n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 7.4 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318555
PNG
((1R,2S,3r,4R,5S,6s)-6-[2-(1-Undecyl-1H-1,2,3-triaz...)
Show SMILES CCCCCCCCCCCn1cc(CCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C21H40N4O5/c1-2-3-4-5-6-7-8-9-10-13-25-14-15(23-24-25)11-12-22-16-17(26)19(28)21(30)20(29)18(16)27/h14,16-22,26-30H,2-13H2,1H3/t16-,17-,18+,19+,20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.54E+4n/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 5.2 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318555
PNG
((1R,2S,3r,4R,5S,6s)-6-[2-(1-Undecyl-1H-1,2,3-triaz...)
Show SMILES CCCCCCCCCCCn1cc(CCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C21H40N4O5/c1-2-3-4-5-6-7-8-9-10-13-25-14-15(23-24-25)11-12-22-16-17(26)19(28)21(30)20(29)18(16)27/h14,16-22,26-30H,2-13H2,1H3/t16-,17-,18+,19+,20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.57E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318554
PNG
((1R,2S,3r,4R,5S,6s)-6-(3-(1-octyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCn1cc(CCCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C19H36N4O5/c1-2-3-4-5-6-7-11-23-12-13(21-22-23)9-8-10-20-14-15(24)17(26)19(28)18(27)16(14)25/h12,14-20,24-28H,2-11H2,1H3/t14-,15-,16+,17+,18-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.54E+4n/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 5.2 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318554
PNG
((1R,2S,3r,4R,5S,6s)-6-(3-(1-octyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCn1cc(CCCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C19H36N4O5/c1-2-3-4-5-6-7-11-23-12-13(21-22-23)9-8-10-20-14-15(24)17(26)19(28)18(27)16(14)25/h12,14-20,24-28H,2-11H2,1H3/t14-,15-,16+,17+,18-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.55E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318550
PNG
((1R,2S,3r,4R,5S,6s)-6-(3-(1-hexyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCn1cc(CCCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C17H32N4O5/c1-2-3-4-5-9-21-10-11(19-20-21)7-6-8-18-12-13(22)15(24)17(26)16(25)14(12)23/h10,12-18,22-26H,2-9H2,1H3/t12-,13-,14+,15+,16-,17-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.46E+4n/an/an/an/a7.4n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 7.4 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318553
PNG
((1R,2S,3r,4R,5S,6s)-6-[2-(1-Nonyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCCn1cc(CCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C19H36N4O5/c1-2-3-4-5-6-7-8-11-23-12-13(21-22-23)9-10-20-14-15(24)17(26)19(28)18(27)16(14)25/h12,14-20,24-28H,2-11H2,1H3/t14-,15-,16+,17+,18-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.47E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318553
PNG
((1R,2S,3r,4R,5S,6s)-6-[2-(1-Nonyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCCn1cc(CCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C19H36N4O5/c1-2-3-4-5-6-7-8-11-23-12-13(21-22-23)9-10-20-14-15(24)17(26)19(28)18(27)16(14)25/h12,14-20,24-28H,2-11H2,1H3/t14-,15-,16+,17+,18-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.47E+4n/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 5.2 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318552
PNG
((1R,2S,3r,4R,5S,6s)-6-[2-(1-Octyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCn1cc(CCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C18H34N4O5/c1-2-3-4-5-6-7-10-22-11-12(20-21-22)8-9-19-13-14(23)16(25)18(27)17(26)15(13)24/h11,13-19,23-27H,2-10H2,1H3/t13-,14-,15+,16+,17-,18-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.59E+4n/an/an/an/a7.4n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 7.4 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 56 total )  |  Next  |  Last  >>
Jump to: