Found 22 hits with Last Name = 'castilla' and Initial = 'j' 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
(Bos taurus) | BDBM50101405
(CHEMBL3393931)Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCCO)=N[C@@]1([H])O[C@H](CO)[C@H](O)[C@@H]2O |r,c:21| Show InChI InChI=1S/C23H43NO6S/c25-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-24-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,25-28H,1-17H2/t18-,19+,20+,21-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.3 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Bos taurus) | BDBM50101398
(CHEMBL3393930)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCCF)=N2 |r,c:32| Show InChI InChI=1S/C23H42FNO5S/c24-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-25-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,26-28H,1-17H2/t18-,19-,20+,21-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.3 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Bos taurus) | BDBM50101399
(CHEMBL3393929)Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCCSC3=N[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@]4([H])O3)=N[C@@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O |r,c:38,t:22| Show InChI InChI=1S/C30H52N2O10S2/c33-17-19-21(35)23(37)25-27(39-19)31-29(41-25)43-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-44-30-32-28-26(42-30)24(38)22(36)20(18-34)40-28/h19-28,33-38H,1-18H2/t19-,20-,21-,22-,23+,24+,25-,26-,27+,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.3 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Bos taurus) | BDBM50101401
(CHEMBL3393928)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCCI)=N2 |r,c:32| Show InChI InChI=1S/C23H42INO5S/c24-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-25-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,26-28H,1-17H2/t18-,19-,20+,21-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.93E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.3 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Bos taurus) | BDBM50101403
(CHEMBL3393932)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCC(O)=O)=N2 |r,c:33| Show InChI InChI=1S/C23H41NO7S/c25-16-17-19(28)20(29)21-22(30-17)24-23(31-21)32-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18(26)27/h17,19-22,25,28-29H,1-16H2,(H,26,27)/t17-,19-,20+,21-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.3 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Bos taurus) | BDBM50101402
(CHEMBL3393927)Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCC(=O)OC)=N[C@@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O |r,c:23| Show InChI InChI=1S/C24H43NO7S/c1-30-19(27)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-33-24-25-23-22(32-24)21(29)20(28)18(17-26)31-23/h18,20-23,26,28-29H,2-17H2,1H3/t18-,20-,21+,22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.64E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.3 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Bos taurus) | BDBM50101402
(CHEMBL3393927)Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCC(=O)OC)=N[C@@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O |r,c:23| Show InChI InChI=1S/C24H43NO7S/c1-30-19(27)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-33-24-25-23-22(32-24)21(29)20(28)18(17-26)31-23/h18,20-23,26,28-29H,2-17H2,1H3/t18-,20-,21+,22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 5.5 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of bovine liver beta-glucosidase at pH 5.5 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Bos taurus) | BDBM50101403
(CHEMBL3393932)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCC(O)=O)=N2 |r,c:33| Show InChI InChI=1S/C23H41NO7S/c25-16-17-19(28)20(29)21-22(30-17)24-23(31-21)32-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18(26)27/h17,19-22,25,28-29H,1-16H2,(H,26,27)/t17-,19-,20+,21-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 5.5 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of bovine liver beta-glucosidase at pH 5.5 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Bos taurus) | BDBM50101405
(CHEMBL3393931)Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCCO)=N[C@@]1([H])O[C@H](CO)[C@H](O)[C@@H]2O |r,c:21| Show InChI InChI=1S/C23H43NO6S/c25-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-24-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,25-28H,1-17H2/t18-,19+,20+,21-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 5.5 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of bovine liver beta-glucosidase at pH 5.5 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Bos taurus) | BDBM50101398
(CHEMBL3393930)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCCF)=N2 |r,c:32| Show InChI InChI=1S/C23H42FNO5S/c24-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-25-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,26-28H,1-17H2/t18-,19-,20+,21-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 5.5 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of bovine liver beta-glucosidase at pH 5.5 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Bos taurus) | BDBM50101401
(CHEMBL3393928)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCCI)=N2 |r,c:32| Show InChI InChI=1S/C23H42INO5S/c24-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-25-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,26-28H,1-17H2/t18-,19-,20+,21-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 9.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 5.5 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of bovine liver beta-glucosidase at pH 5.5 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Bos taurus) | BDBM50101399
(CHEMBL3393929)Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCCSC3=N[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@]4([H])O3)=N[C@@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O |r,c:38,t:22| Show InChI InChI=1S/C30H52N2O10S2/c33-17-19-21(35)23(37)25-27(39-19)31-29(41-25)43-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-44-30-32-28-26(42-30)24(38)22(36)20(18-34)40-28/h19-28,33-38H,1-18H2/t19-,20-,21-,22-,23+,24+,25-,26-,27+,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.39E+5 | n/a | n/a | n/a | n/a | n/a | n/a | 5.5 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of bovine liver beta-glucosidase at pH 5.5 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50101398
(CHEMBL3393930)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCCF)=N2 |r,c:32| Show InChI InChI=1S/C23H42FNO5S/c24-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-25-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,26-28H,1-17H2/t18-,19-,20+,21-,22+/m1/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 | 3.90E+3 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of human beta-glucocerebrosidase at pH 7.0 by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50395322
(AMBROXOL)Show SMILES Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1 |wU:14.15,wD:11.11,(9.88,-5.24,;9.1,-6.63,;7.56,-6.63,;6.74,-5.3,;6.8,-7.96,;7.56,-9.29,;6.77,-10.67,;9.08,-9.29,;9.88,-7.96,;11.4,-7.96,;12.18,-6.63,;13.74,-6.63,;14.51,-7.96,;16.03,-7.96,;16.81,-6.63,;18.35,-6.63,;16.03,-5.3,;14.48,-5.3,)| Show InChI InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of beta-glucocerebrosidase in human fibroblast lysate using 4-methylumbelliferyl beta-D-glycopyranoside as substrate by fluorimetric analy... |
J Med Chem 55: 6857-65 (2012)
Article DOI: 10.1021/jm3006178
BindingDB Entry DOI: 10.7270/Q2R212GM |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50395323
(CHEMBL2164031)Show SMILES OCCCCCCCCCCCCCCCCSC1=N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O1 |r,t:18| Show InChI InChI=1S/C23H43NO6S/c25-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-24-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,25-28H,1-17H2/t18-,19-,20+,21-,22+/m1/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 | 1.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of beta-glucocerebrosidase in human fibroblast lysate using 4-methylumbelliferyl beta-D-glycopyranoside as substrate by fluorimetric analy... |
J Med Chem 55: 6857-65 (2012)
Article DOI: 10.1021/jm3006178
BindingDB Entry DOI: 10.7270/Q2R212GM |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50101398
(CHEMBL3393930)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCCF)=N2 |r,c:32| Show InChI InChI=1S/C23H42FNO5S/c24-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-25-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,26-28H,1-17H2/t18-,19-,20+,21-,22+/m1/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 | 2.70E+4 | n/a | n/a | n/a | n/a | 5.5 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of human beta-glucocerebrosidase at pH 5.5 by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50101402
(CHEMBL3393927)Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCC(=O)OC)=N[C@@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O |r,c:23| Show InChI InChI=1S/C24H43NO7S/c1-30-19(27)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-33-24-25-23-22(32-24)21(29)20(28)18(17-26)31-23/h18,20-23,26,28-29H,2-17H2,1H3/t18-,20-,21+,22-,23+/m1/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 | 3.30E+4 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of human beta-glucocerebrosidase at pH 7.0 by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50101401
(CHEMBL3393928)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCCI)=N2 |r,c:32| Show InChI InChI=1S/C23H42INO5S/c24-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-25-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,26-28H,1-17H2/t18-,19-,20+,21-,22+/m1/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 | 2.30E+5 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of human beta-glucocerebrosidase at pH 7.0 by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50101402
(CHEMBL3393927)Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCC(=O)OC)=N[C@@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O |r,c:23| Show InChI InChI=1S/C24H43NO7S/c1-30-19(27)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-33-24-25-23-22(32-24)21(29)20(28)18(17-26)31-23/h18,20-23,26,28-29H,2-17H2,1H3/t18-,20-,21+,22-,23+/m1/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 | 3.00E+5 | n/a | n/a | n/a | n/a | 5.5 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of human beta-glucocerebrosidase at pH 5.5 by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50101403
(CHEMBL3393932)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCC(O)=O)=N2 |r,c:33| Show InChI InChI=1S/C23H41NO7S/c25-16-17-19(28)20(29)21-22(30-17)24-23(31-21)32-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18(26)27/h17,19-22,25,28-29H,1-16H2,(H,26,27)/t17-,19-,20+,21-,22+/m1/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 | 4.20E+5 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of human beta-glucocerebrosidase at pH 7.0 by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50101403
(CHEMBL3393932)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCC(O)=O)=N2 |r,c:33| Show InChI InChI=1S/C23H41NO7S/c25-16-17-19(28)20(29)21-22(30-17)24-23(31-21)32-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18(26)27/h17,19-22,25,28-29H,1-16H2,(H,26,27)/t17-,19-,20+,21-,22+/m1/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 | >1.00E+6 | n/a | n/a | n/a | n/a | 5.5 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of human beta-glucocerebrosidase at pH 5.5 by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50101401
(CHEMBL3393928)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCCI)=N2 |r,c:32| Show InChI InChI=1S/C23H42INO5S/c24-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-25-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,26-28H,1-17H2/t18-,19-,20+,21-,22+/m1/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 | >1.00E+6 | n/a | n/a | n/a | n/a | 5.5 | n/a |
Universitat Rovira i Virgili
Curated by ChEMBL
| Assay Description
Inhibition of human beta-glucocerebrosidase at pH 5.5 by spectrophotometry |
Eur J Med Chem 90: 258-66 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.002
BindingDB Entry DOI: 10.7270/Q2H996ZT |
More data for this
Ligand-Target Pair | |
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