Found 5 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)) | BDBM36514
(CID46912122 | MDW933, 5)Show SMILES CC1=CC(C)=[N+]2C1=C(CCCCc1cn(C[C@H]3[C@H]4O[C@H]4[C@H](O)[C@@H](O)[C@@H]3O)nn1)c1c(C)cc(C)n1[B-]2(F)F |c:4,7,t:1| Show InChI InChI=1S/C26H34BF2N5O4/c1-13-9-15(3)33-20(13)18(21-14(2)10-16(4)34(21)27(33,28)29)8-6-5-7-17-11-32(31-30-17)12-19-22(35)23(36)24(37)26-25(19)38-26/h9-11,19,22-26,35-37H,5-8,12H2,1-4H3/t19-,22-,23+,24-,25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | -48.4 | 1.24 | n/a | n/a | n/a | n/a | 5.2 | 37 |
Leiden University
| Assay Description
Enzymatic activity assay using fluorescent activity-based labeling method. |
Nat Chem Biol 6: 907-13 (2010)
Article DOI: 10.1038/nchembio.466
BindingDB Entry DOI: 10.7270/Q2FX77ST |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM36515
(CID46912120 | MDW941, 6)Show SMILES COc1ccc(cc1)C1=[N+]2C(C=C1)=C(CCCCc1cn(C[C@H]3[C@H]4O[C@H]4[C@H](O)[C@@H](O)[C@@H]3O)nn1)c1ccc(-c3ccc(OC)cc3)n1[B-]2(F)F |c:12,t:9,14| Show InChI InChI=1S/C36H38BF2N5O6/c1-48-24-11-7-21(8-12-24)28-15-17-30-26(31-18-16-29(44(31)37(38,39)43(28)30)22-9-13-25(49-2)14-10-22)6-4-3-5-23-19-42(41-40-23)20-27-32(45)33(46)34(47)36-35(27)50-36/h7-19,27,32-36,45-47H,3-6,20H2,1-2H3/t27-,32-,33+,34-,35-,36+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | -48.1 | 1.94 | n/a | n/a | n/a | n/a | 5.2 | 37 |
Leiden University
| Assay Description
Enzymatic activity assay using fluorescent activity-based labeling method. |
Nat Chem Biol 6: 907-13 (2010)
Article DOI: 10.1038/nchembio.466
BindingDB Entry DOI: 10.7270/Q2FX77ST |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM36513
(CID46912128 | KY170, 4 | US9056847, Azido-cyclophe...)Show SMILES O[C@H]1[C@@H]2O[C@@H]2[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H]1O Show InChI InChI=1S/C7H11N3O4/c8-10-9-1-2-3(11)4(12)5(13)7-6(2)14-7/h2-7,11-13H,1H2/t2-,3-,4+,5-,6-,7+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 44 | -43.7 | 120 | n/a | n/a | n/a | n/a | 5.2 | 37 |
Leiden University
| Assay Description
Enzymatic activity assay using fluorescent activity-based labeling method. |
Nat Chem Biol 6: 907-13 (2010)
Article DOI: 10.1038/nchembio.466
BindingDB Entry DOI: 10.7270/Q2FX77ST |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM36512
(CID164227 | Cylcophellitol, 3 | US11826435, Compou...)Show SMILES OC[C@H]1[C@H]2O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C7H12O5/c8-1-2-3(9)4(10)5(11)7-6(2)12-7/h2-11H,1H2/t2-,3-,4+,5-,6-,7+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 152 | -40.5 | 150 | n/a | n/a | n/a | n/a | 5.2 | 37 |
Leiden University
| Assay Description
Enzymatic activity assay using fluorescent activity-based labeling method. |
Nat Chem Biol 6: 907-13 (2010)
Article DOI: 10.1038/nchembio.466
BindingDB Entry DOI: 10.7270/Q2FX77ST |
More data for this
Ligand-Target Pair | |
Lysosomal acid glucosylceramidase
(Homo sapiens (Human)) | BDBM50078114
((1S,2R,3S,4S,5R,6R)-7-Oxa-bicyclo[4.1.0]heptane-2,...)Show SMILES O[C@H]1[C@H]2O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H/t1-,2-,3+,4+,5-,6+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30E+4 | -25.4 | 9.49E+3 | n/a | n/a | n/a | n/a | 5.2 | 37 |
Leiden University
| Assay Description
Enzymatic activity assay using fluorescent activity-based labeling method. |
Nat Chem Biol 6: 907-13 (2010)
Article DOI: 10.1038/nchembio.466
BindingDB Entry DOI: 10.7270/Q2FX77ST |
More data for this
Ligand-Target Pair | |
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