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BDBM50263050 (R)-2-(((2R,3R,4R)-3,4-dihydroxy-5-oxopyrrolidin-2-yl)methylamino)-2-phenylethyl 4-bromobenzoate::CHEMBL476927

SMILES: O[C@@H]1[C@@H](CN[C@@H](COC(=O)c2ccc(Br)cc2)c2ccccc2)NC(=O)[C@@H]1O

InChI Key: InChIKey=LPEBKSIPCCGPPX-XMTFNYHQSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50263050   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50263050
PNG
((R)-2-(((2R,3R,4R)-3,4-dihydroxy-5-oxopyrrolidin-2...)
Show SMILES O[C@@H]1[C@@H](CN[C@@H](COC(=O)c2ccc(Br)cc2)c2ccccc2)NC(=O)[C@@H]1O |r|
Show InChI InChI=1S/C20H21BrN2O5/c21-14-8-6-13(7-9-14)20(27)28-11-16(12-4-2-1-3-5-12)22-10-15-17(24)18(25)19(26)23-15/h1-9,15-18,22,24-25H,10-11H2,(H,23,26)/t15-,16+,17-,18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human LNZ308 cells


Bioorg Med Chem 16: 7337-46 (2008)


Article DOI: 10.1016/j.bmc.2008.06.021
BindingDB Entry DOI: 10.7270/Q2668D0J
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50263050
PNG
((R)-2-(((2R,3R,4R)-3,4-dihydroxy-5-oxopyrrolidin-2...)
Show SMILES O[C@@H]1[C@@H](CN[C@@H](COC(=O)c2ccc(Br)cc2)c2ccccc2)NC(=O)[C@@H]1O |r|
Show InChI InChI=1S/C20H21BrN2O5/c21-14-8-6-13(7-9-14)20(27)28-11-16(12-4-2-1-3-5-12)22-10-15-17(24)18(25)19(26)23-15/h1-9,15-18,22,24-25H,10-11H2,(H,23,26)/t15-,16+,17-,18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.50E+4n/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human HCEC


Bioorg Med Chem 16: 7337-46 (2008)


Article DOI: 10.1016/j.bmc.2008.06.021
BindingDB Entry DOI: 10.7270/Q2668D0J
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50263050
PNG
((R)-2-(((2R,3R,4R)-3,4-dihydroxy-5-oxopyrrolidin-2...)
Show SMILES O[C@@H]1[C@@H](CN[C@@H](COC(=O)c2ccc(Br)cc2)c2ccccc2)NC(=O)[C@@H]1O |r|
Show InChI InChI=1S/C20H21BrN2O5/c21-14-8-6-13(7-9-14)20(27)28-11-16(12-4-2-1-3-5-12)22-10-15-17(24)18(25)19(26)23-15/h1-9,15-18,22,24-25H,10-11H2,(H,23,26)/t15-,16+,17-,18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.50E+5n/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human LN18 cells


Bioorg Med Chem 16: 7337-46 (2008)


Article DOI: 10.1016/j.bmc.2008.06.021
BindingDB Entry DOI: 10.7270/Q2668D0J
More data for this
Ligand-Target Pair