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BDBM50263091 (R)-2-(((2R,3R,4R)-3,4-dihydroxy-1-methyl-5-oxopyrrolidin-2-yl)methylamino)-2-phenylethyl 4-bromobenzoate::CHEMBL476343

SMILES: CN1[C@H](CN[C@@H](COC(=O)c2ccc(Br)cc2)c2ccccc2)[C@@H](O)[C@@H](O)C1=O

InChI Key: InChIKey=LKHOPRZQBRZOTI-WJFTUGDTSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50263091   
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))
BDBM50263091
PNG
((R)-2-(((2R,3R,4R)-3,4-dihydroxy-1-methyl-5-oxopyr...)
Show SMILES CN1[C@H](CN[C@@H](COC(=O)c2ccc(Br)cc2)c2ccccc2)[C@@H](O)[C@@H](O)C1=O |r|
Show InChI InChI=1S/C21H23BrN2O5/c1-24-17(18(25)19(26)20(24)27)11-23-16(13-5-3-2-4-6-13)12-29-21(28)14-7-9-15(22)10-8-14/h2-10,16-19,23,25-26H,11-12H2,1H3/t16-,17+,18+,19+/m0/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+3n/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))
BDBM50263091
PNG
((R)-2-(((2R,3R,4R)-3,4-dihydroxy-1-methyl-5-oxopyr...)
Show SMILES CN1[C@H](CN[C@@H](COC(=O)c2ccc(Br)cc2)c2ccccc2)[C@@H](O)[C@@H](O)C1=O |r|
Show InChI InChI=1S/C21H23BrN2O5/c1-24-17(18(25)19(26)20(24)27)11-23-16(13-5-3-2-4-6-13)12-29-21(28)14-7-9-15(22)10-8-14/h2-10,16-19,23,25-26H,11-12H2,1H3/t16-,17+,18+,19+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 750n/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))
BDBM50263091
PNG
((R)-2-(((2R,3R,4R)-3,4-dihydroxy-1-methyl-5-oxopyr...)
Show SMILES CN1[C@H](CN[C@@H](COC(=O)c2ccc(Br)cc2)c2ccccc2)[C@@H](O)[C@@H](O)C1=O |r|
Show InChI InChI=1S/C21H23BrN2O5/c1-24-17(18(25)19(26)20(24)27)11-23-16(13-5-3-2-4-6-13)12-29-21(28)14-7-9-15(22)10-8-14/h2-10,16-19,23,25-26H,11-12H2,1H3/t16-,17+,18+,19+/m0/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 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