Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50039499 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50379102
(CHEMBL2012655)Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1NCCCCCCCCC |r| Show InChI InChI=1S/C24H50N2O4/c1-3-5-7-9-11-13-15-17-25-19-20(22(28)24(30)23(29)21(19)27)26-18-16-14-12-10-8-6-4-2/h19-30H,3-18H2,1-2H3/t19-,20+,21-,22-,23+,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | 5.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by Lineweaver-Burk plot ... |
ACS Med Chem Lett 2: 614-619 (2011)
Article DOI: 10.1021/ml200098j
BindingDB Entry DOI: 10.7270/Q2R78G6C |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50379103
(CHEMBL2012654)Show SMILES CCCCCCCCCN[C@@H]1[C@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H32N2O4/c1-2-3-4-5-6-7-8-9-17-11-10(16)12(18)14(20)15(21)13(11)19/h10-15,17-21H,2-9,16H2,1H3/t10-,11+,12-,13-,14+,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | 5.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by Lineweaver-Burk plot ... |
ACS Med Chem Lett 2: 614-619 (2011)
Article DOI: 10.1021/ml200098j
BindingDB Entry DOI: 10.7270/Q2R78G6C |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM18358
((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
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | 5.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by Lineweaver-Burk plot ... |
ACS Med Chem Lett 2: 614-619 (2011)
Article DOI: 10.1021/ml200098j
BindingDB Entry DOI: 10.7270/Q2R78G6C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50379101
(CHEMBL2012656)Show SMILES CCCCCCCCCN1[C@H]2[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]2O)N(CCCCCCCCC)C1=O |r| Show InChI InChI=1S/C25H48N2O5/c1-3-5-7-9-11-13-15-17-26-19-20(22(29)24(31)23(30)21(19)28)27(25(26)32)18-16-14-12-10-8-6-4-2/h19-24,28-31H,3-18H2,1-2H3/t19-,20+,21-,22-,23+,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | 5.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by Lineweaver-Burk plot ... |
ACS Med Chem Lett 2: 614-619 (2011)
Article DOI: 10.1021/ml200098j
BindingDB Entry DOI: 10.7270/Q2R78G6C |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50379102
(CHEMBL2012655)Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1NCCCCCCCCC |r| Show InChI InChI=1S/C24H50N2O4/c1-3-5-7-9-11-13-15-17-25-19-20(22(28)24(30)23(29)21(19)27)26-18-16-14-12-10-8-6-4-2/h19-30H,3-18H2,1-2H3/t19-,20+,21-,22-,23+,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by spectrophotometric analysis at pH... |
ACS Med Chem Lett 2: 614-619 (2011)
Article DOI: 10.1021/ml200098j
BindingDB Entry DOI: 10.7270/Q2R78G6C |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50379103
(CHEMBL2012654)Show SMILES CCCCCCCCCN[C@@H]1[C@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H32N2O4/c1-2-3-4-5-6-7-8-9-17-11-10(16)12(18)14(20)15(21)13(11)19/h10-15,17-21H,2-9,16H2,1H3/t10-,11+,12-,13-,14+,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by spectrophotometric analysis at pH... |
ACS Med Chem Lett 2: 614-619 (2011)
Article DOI: 10.1021/ml200098j
BindingDB Entry DOI: 10.7270/Q2R78G6C |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50379102
(CHEMBL2012655)Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1NCCCCCCCCC |r| Show InChI InChI=1S/C24H50N2O4/c1-3-5-7-9-11-13-15-17-25-19-20(22(28)24(30)23(29)21(19)27)26-18-16-14-12-10-8-6-4-2/h19-30H,3-18H2,1-2H3/t19-,20+,21-,22-,23+,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | 5.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by spectrophotometric analysis at pH... |
ACS Med Chem Lett 2: 614-619 (2011)
Article DOI: 10.1021/ml200098j
BindingDB Entry DOI: 10.7270/Q2R78G6C |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM18358
((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/a | n/a | 300 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by spectrophotometric analysis at pH... |
ACS Med Chem Lett 2: 614-619 (2011)
Article DOI: 10.1021/ml200098j
BindingDB Entry DOI: 10.7270/Q2R78G6C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50379103
(CHEMBL2012654)Show SMILES CCCCCCCCCN[C@@H]1[C@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H32N2O4/c1-2-3-4-5-6-7-8-9-17-11-10(16)12(18)14(20)15(21)13(11)19/h10-15,17-21H,2-9,16H2,1H3/t10-,11+,12-,13-,14+,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | 5.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by spectrophotometric analysis at pH... |
ACS Med Chem Lett 2: 614-619 (2011)
Article DOI: 10.1021/ml200098j
BindingDB Entry DOI: 10.7270/Q2R78G6C |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM18358
((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/a | n/a | 660 | n/a | n/a | n/a | n/a | 5.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by spectrophotometric analysis at pH... |
ACS Med Chem Lett 2: 614-619 (2011)
Article DOI: 10.1021/ml200098j
BindingDB Entry DOI: 10.7270/Q2R78G6C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50379101
(CHEMBL2012656)Show SMILES CCCCCCCCCN1[C@H]2[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]2O)N(CCCCCCCCC)C1=O |r| Show InChI InChI=1S/C25H48N2O5/c1-3-5-7-9-11-13-15-17-26-19-20(22(29)24(31)23(30)21(19)28)27(25(26)32)18-16-14-12-10-8-6-4-2/h19-24,28-31H,3-18H2,1-2H3/t19-,20+,21-,22-,23+,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by spectrophotometric analysis at pH... |
ACS Med Chem Lett 2: 614-619 (2011)
Article DOI: 10.1021/ml200098j
BindingDB Entry DOI: 10.7270/Q2R78G6C |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50379101
(CHEMBL2012656)Show SMILES CCCCCCCCCN1[C@H]2[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]2O)N(CCCCCCCCC)C1=O |r| Show InChI InChI=1S/C25H48N2O5/c1-3-5-7-9-11-13-15-17-26-19-20(22(29)24(31)23(30)21(19)28)27(25(26)32)18-16-14-12-10-8-6-4-2/h19-24,28-31H,3-18H2,1-2H3/t19-,20+,21-,22-,23+,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.61E+3 | n/a | n/a | n/a | n/a | 5.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by spectrophotometric analysis at pH... |
ACS Med Chem Lett 2: 614-619 (2011)
Article DOI: 10.1021/ml200098j
BindingDB Entry DOI: 10.7270/Q2R78G6C |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50379105
(CHEMBL2012657)Show SMILES N[C@H]1[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H14N2O4/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,9-12H,7-8H2/t1-,2+,3-,4-,5+,6+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.44E+4 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by spectrophotometric analysis at pH... |
ACS Med Chem Lett 2: 614-619 (2011)
Article DOI: 10.1021/ml200098j
BindingDB Entry DOI: 10.7270/Q2R78G6C |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50379104
(CHEMBL2012659)Show SMILES CCCCCCCCCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OCCCCCCCCC |r| Show InChI InChI=1S/C24H48O6/c1-3-5-7-9-11-13-15-17-29-23-21(27)19(25)20(26)22(28)24(23)30-18-16-14-12-10-8-6-4-2/h19-28H,3-18H2,1-2H3/t19-,20-,21+,22+,23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.93E+4 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by spectrophotometric analysis at pH... |
ACS Med Chem Lett 2: 614-619 (2011)
Article DOI: 10.1021/ml200098j
BindingDB Entry DOI: 10.7270/Q2R78G6C |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50379105
(CHEMBL2012657)Show SMILES N[C@H]1[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H14N2O4/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,9-12H,7-8H2/t1-,2+,3-,4-,5+,6+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.34E+4 | n/a | n/a | n/a | n/a | 5.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by spectrophotometric analysis at pH... |
ACS Med Chem Lett 2: 614-619 (2011)
Article DOI: 10.1021/ml200098j
BindingDB Entry DOI: 10.7270/Q2R78G6C |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50379104
(CHEMBL2012659)Show SMILES CCCCCCCCCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OCCCCCCCCC |r| Show InChI InChI=1S/C24H48O6/c1-3-5-7-9-11-13-15-17-29-23-21(27)19(25)20(26)22(28)24(23)30-18-16-14-12-10-8-6-4-2/h19-28H,3-18H2,1-2H3/t19-,20-,21+,22+,23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.44E+5 | n/a | n/a | n/a | n/a | 5.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by spectrophotometric analysis at pH... |
ACS Med Chem Lett 2: 614-619 (2011)
Article DOI: 10.1021/ml200098j
BindingDB Entry DOI: 10.7270/Q2R78G6C |
More data for this
Ligand-Target Pair | |
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