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Compile Data Set for Download or QSAR

Found 1001 hits with Last Name = 'qiu' and Initial = 'x'   
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
Beta-glucosidase


(Prunus avium)
BDBM50186735
PNG
(CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1
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4.50E+4n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50186735
PNG
(CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1
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9.20E+4n/an/an/an/an/an/a5.0n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond beta glucosidase at pH 5


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50186733
PNG
(CHEMBL208152 | L-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m0/s1
PDB

KEGG

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antibodypedia
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2.50E+5n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta alpha fucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)
BDBM50186733
PNG
(CHEMBL208152 | L-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PubMed
5.70E+5n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha fucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50186736
PNG
(CHEMBL380311 | L-1,4-dideoxy-4,4-difluorogulonojir...)
Show SMILES OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5-/m1/s1
KEGG

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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond alpha mannosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50186734
PNG
(CHEMBL207910 | D-1,4-dideoxy-4,4-difluoronojirimyc...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5+/m0/s1
KEGG

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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of jack bean alpha mannosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-glucosidase 1


(Aspergillus aculeatus)
BDBM50186733
PNG
(CHEMBL208152 | L-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m0/s1
PDB

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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus oryzae beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-mannosidase


(Homo sapiens (Human))
BDBM50186734
PNG
(CHEMBL207910 | D-1,4-dideoxy-4,4-difluoronojirimyc...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
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PubMed
>1.00E+6n/an/an/an/an/an/a4.0n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of snail beta mannosidase at pH 4


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-glucosidase


(Hansenula anomala)
BDBM50186733
PNG
(CHEMBL208152 | L-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m0/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces fragilis beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50186733
PNG
(CHEMBL208152 | L-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m0/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50186735
PNG
(CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1
KEGG

UniProtKB/TrEMBL

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Article
PubMed
>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of jack bean alpha mannosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-glucosidase 1


(Aspergillus aculeatus)
BDBM50186734
PNG
(CHEMBL207910 | D-1,4-dideoxy-4,4-difluoronojirimyc...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5+/m0/s1
PDB

UniProtKB/SwissProt

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PubMed
>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus oryzae beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50186733
PNG
(CHEMBL208152 | L-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m0/s1
KEGG

UniProtKB/TrEMBL

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PubMed
>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of jack bean alpha mannosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-glucosidase


(Hansenula anomala)
BDBM50186732
PNG
(CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces fragilis beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50186734
PNG
(CHEMBL207910 | D-1,4-dideoxy-4,4-difluoronojirimyc...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5+/m0/s1
KEGG

UniProtKB/TrEMBL

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Article
PubMed
>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond alpha mannosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)
BDBM50186735
PNG
(CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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PubMed
>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha fucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica)
BDBM50186733
PNG
(CHEMBL208152 | L-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m0/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of green coffee beans alpha galactosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-glucosidase 1


(Aspergillus aculeatus)
BDBM50186735
PNG
(CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1
PDB

UniProtKB/SwissProt

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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus oryzae beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50186732
PNG
(CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a5.0n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond beta glucosidase at pH 5


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)
BDBM50186734
PNG
(CHEMBL207910 | D-1,4-dideoxy-4,4-difluoronojirimyc...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PubMed
>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha fucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50186736
PNG
(CHEMBL380311 | L-1,4-dideoxy-4,4-difluorogulonojir...)
Show SMILES OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5-/m1/s1
KEGG

UniProtKB/TrEMBL

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Article
PubMed
>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of jack bean alpha mannosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-glucosidase


(Hansenula anomala)
BDBM50186734
PNG
(CHEMBL207910 | D-1,4-dideoxy-4,4-difluoronojirimyc...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5+/m0/s1
UniProtKB/SwissProt

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Article
PubMed
>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces fragilis beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50186736
PNG
(CHEMBL380311 | L-1,4-dideoxy-4,4-difluorogulonojir...)
Show SMILES OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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UniChem

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Article
PubMed
>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta alpha fucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50186732
PNG
(CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta alpha fucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50186734
PNG
(CHEMBL207910 | D-1,4-dideoxy-4,4-difluoronojirimyc...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5+/m0/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta alpha fucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)
BDBM50186736
PNG
(CHEMBL380311 | L-1,4-dideoxy-4,4-difluorogulonojir...)
Show SMILES OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha fucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-mannosidase


(Homo sapiens (Human))
BDBM50186732
PNG
(CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a4.0n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of snail beta mannosidase at pH 4


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50186734
PNG
(CHEMBL207910 | D-1,4-dideoxy-4,4-difluoronojirimyc...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5+/m0/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-mannosidase


(Homo sapiens (Human))
BDBM50186736
PNG
(CHEMBL380311 | L-1,4-dideoxy-4,4-difluorogulonojir...)
Show SMILES OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a4.0n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of snail beta mannosidase at pH 4


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-glucosidase


(Hansenula anomala)
BDBM50186736
PNG
(CHEMBL380311 | L-1,4-dideoxy-4,4-difluorogulonojir...)
Show SMILES OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces fragilis beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50186736
PNG
(CHEMBL380311 | L-1,4-dideoxy-4,4-difluorogulonojir...)
Show SMILES OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-glucosidase 1


(Aspergillus aculeatus)
BDBM50186732
PNG
(CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus oryzae beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)
BDBM50186732
PNG
(CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha fucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50186735
PNG
(CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta alpha fucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica)
BDBM50186732
PNG
(CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of green coffee beans alpha galactosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica)
BDBM50186734
PNG
(CHEMBL207910 | D-1,4-dideoxy-4,4-difluoronojirimyc...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5+/m0/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of green coffee beans alpha galactosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-glucosidase 1


(Aspergillus aculeatus)
BDBM50186736
PNG
(CHEMBL380311 | L-1,4-dideoxy-4,4-difluorogulonojir...)
Show SMILES OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus oryzae beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50186732
PNG
(CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond alpha mannosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-mannosidase


(Homo sapiens (Human))
BDBM50186735
PNG
(CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a4.0n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of snail beta mannosidase at pH 4


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-glucosidase


(Hansenula anomala)
BDBM50186735
PNG
(CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces fragilis beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-mannosidase


(Homo sapiens (Human))
BDBM50186733
PNG
(CHEMBL208152 | L-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m0/s1
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>1.00E+6n/an/an/an/an/an/a4.0n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of snail beta mannosidase at pH 4


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica)
BDBM50186735
PNG
(CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of green coffee beans alpha galactosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50186733
PNG
(CHEMBL208152 | L-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m0/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of jack bean alpha mannosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50186735
PNG
(CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond alpha mannosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica)
BDBM50186736
PNG
(CHEMBL380311 | L-1,4-dideoxy-4,4-difluorogulonojir...)
Show SMILES OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of green coffee beans alpha galactosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50186732
PNG
(CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50186732
PNG
(CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1
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Article
PubMed
>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of jack bean alpha mannosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50571444
PNG
(CHEMBL4858291)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(N)c3Cl)c(N)n2)[C@@H]1N |r|
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MMDB

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n/an/a 0.0170n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SHP2 catalytic activity in human MV4-11 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113341
BindingDB Entry DOI: 10.7270/Q2K0782R
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM50497089
PNG
(CHEMBL3263091)
Show SMILES [H][C@]12OC[C@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)[C@@]1([H])OC[C@H]2OC |r|
Show InChI InChI=1S/C29H40N2O9S/c1-19(2)15-31(41(34,35)22-12-10-21(36-3)11-13-22)16-24(32)23(14-20-8-6-5-7-9-20)30-29(33)40-26-18-39-27-25(37-4)17-38-28(26)27/h5-13,19,23-28,32H,14-18H2,1-4H3,(H,30,33)/t23-,24+,25+,26-,27+,28+/m0/s1
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n/an/a 0.0500n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate by fluorescence ass...


Bioorg Med Chem Lett 24: 2465-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.008
BindingDB Entry DOI: 10.7270/Q20C4ZRC
More data for this
Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)


(Staphylococcus aureus (strain Newman))
BDBM50465164
PNG
(CHEMBL4288408)
Show SMILES Cl.CN(C\C=C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C22H22F3NO2/c1-26(16-18-8-11-20-21(15-18)28-14-13-27-20)12-4-2-3-5-17-6-9-19(10-7-17)22(23,24)25/h2-11,15H,12-14,16H2,1H3/b4-2+,5-3+
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n/an/a<0.100n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in vancomycin-intermediate Staphylococcus aureus Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophoto...


ACS Med Chem Lett 9: 233-237 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00501
BindingDB Entry DOI: 10.7270/Q2V127GN
More data for this
Ligand-Target Pair
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