Found 8 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 |
|---|
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50438750
(CHEMBL2414884)Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C20H26F6N2O5/c21-19(22,23)12-5-11(6-13(8-12)20(24,25)26)7-16(31)27-3-1-2-4-28-9-15(30)18(33)17(32)14(28)10-29/h5-6,8,14-15,17-18,29-30,32-33H,1-4,7,9-10H2,(H,27,31)/t14-,15+,17-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Research Center
Curated by ChEMBL
| Assay Description
Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method |
Bioorg Med Chem 21: 5021-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.054
BindingDB Entry DOI: 10.7270/Q2XG9SJX |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50438752
(CHEMBL2414882)Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H38N2O5/c34-22-26-29(37)30(38)27(35)21-33(26)19-11-10-18-32-28(36)20-31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-17,26-27,29-30,34-35,37-38H,10-11,18-22H2,(H,32,36)/t26-,27+,29-,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Research Center
Curated by ChEMBL
| Assay Description
Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method |
Bioorg Med Chem 21: 5021-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.054
BindingDB Entry DOI: 10.7270/Q2XG9SJX |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50438754
(CHEMBL2414880)Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)CC1c2ccccc2-c2ccccc12 |r| Show InChI InChI=1S/C25H32N2O5/c28-15-21-24(31)25(32)22(29)14-27(21)12-6-5-11-26-23(30)13-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20-22,24-25,28-29,31-32H,5-6,11-15H2,(H,26,30)/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
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Research Center
Curated by ChEMBL
| Assay Description
Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method |
Bioorg Med Chem 21: 5021-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.054
BindingDB Entry DOI: 10.7270/Q2XG9SJX |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50438753
(CHEMBL2414881)Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)C1CCc2ccccc2C1 |r| Show InChI InChI=1S/C21H32N2O5/c24-13-17-19(26)20(27)18(25)12-23(17)10-4-3-9-22-21(28)16-8-7-14-5-1-2-6-15(14)11-16/h1-2,5-6,16-20,24-27H,3-4,7-13H2,(H,22,28)/t16?,17-,18+,19-,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Research Center
Curated by ChEMBL
| Assay Description
Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method |
Bioorg Med Chem 21: 5021-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.054
BindingDB Entry DOI: 10.7270/Q2XG9SJX |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50438748
(CHEMBL2414879)Show SMILES COc1ccc2CCC(CC(=O)NCCCCN3C[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)c2c1 |r| Show InChI InChI=1S/C22H34N2O6/c1-30-16-7-6-14-4-5-15(17(14)11-16)10-20(27)23-8-2-3-9-24-12-19(26)22(29)21(28)18(24)13-25/h6-7,11,15,18-19,21-22,25-26,28-29H,2-5,8-10,12-13H2,1H3,(H,23,27)/t15?,18-,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
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Research Center
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method |
Bioorg Med Chem 21: 5021-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.054
BindingDB Entry DOI: 10.7270/Q2XG9SJX |
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
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Research Center
Curated by ChEMBL
| Assay Description
Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method |
Bioorg Med Chem 21: 5021-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.054
BindingDB Entry DOI: 10.7270/Q2XG9SJX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50438751
(CHEMBL2414883)Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)COc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C18H26Cl2N2O6/c19-12-4-3-11(7-13(12)20)28-10-16(25)21-5-1-2-6-22-8-15(24)18(27)17(26)14(22)9-23/h3-4,7,14-15,17-18,23-24,26-27H,1-2,5-6,8-10H2,(H,21,25)/t14-,15+,17-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Research Center
Curated by ChEMBL
| Assay Description
Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method |
Bioorg Med Chem 21: 5021-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.054
BindingDB Entry DOI: 10.7270/Q2XG9SJX |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50438749
(CHEMBL2414888)Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H38N2O5/c34-21-26-29(37)30(38)27(22-35)33(26)19-11-10-18-32-28(36)20-31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-17,26-27,29-30,34-35,37-38H,10-11,18-22H2,(H,32,36)/t26-,27-,29-,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Research Center
Curated by ChEMBL
| Assay Description
Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method |
Bioorg Med Chem 21: 5021-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.054
BindingDB Entry DOI: 10.7270/Q2XG9SJX |
More data for this
Ligand-Target Pair | |
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