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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 381.5
BDBM50028186

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50028186
PNG
(CHEMBL3354017)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCC12CC3CC(CC(C3)C1)C2 |r,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
Show InChI InChI=1S/C22H39NO4/c24-14-18-20(26)21(27)19(25)13-23(18)6-4-2-1-3-5-22-10-15-7-16(11-22)9-17(8-15)12-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50028186
PNG
(CHEMBL3354017)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCC12CC3CC(CC(C3)C1)C2 |r,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
Show InChI InChI=1S/C22H39NO4/c24-14-18-20(26)21(27)19(25)13-23(18)6-4-2-1-3-5-22-10-15-7-16(11-22)9-17(8-15)12-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA1 (unknown origin) using beta-D-[1-14C]glucocerebroside assessed as 4-methylumbelliferrone by fluorimetry


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair