Found 6 hits of Enzyme Inhibition Constant Data 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 |
|---|
Non-lysosomal glucosylceramidase
(Homo sapiens (Human)) | BDBM50308672
(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 |r| 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Non-lysosomal glucosylceramidase
(Homo sapiens (Human)) | BDBM50308673
(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 |r| 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50308672
(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 |r| 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 | 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 | 350 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50308673
(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 |r| 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 | 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 | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Non-lysosomal glucosylceramidase
(Homo sapiens (Human)) | BDBM18351
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)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 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.88E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM18351
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.06E+5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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