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Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'qin' and Initial = 'f'   
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

UniProtKB/SwissProt

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

UniProtKB/TrEMBL

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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

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-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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Article
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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Article
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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>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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50386070
PNG
(CHEMBL2043052)
Show SMILES COc1cc2C\C(=C\c3ccncc3)C(=O)c2cc1OCCN1CCCCC1
Show InChI InChI=1S/C23H26N2O3/c1-27-21-15-18-14-19(13-17-5-7-24-8-6-17)23(26)20(18)16-22(21)28-12-11-25-9-3-2-4-10-25/h5-8,13,15-16H,2-4,9-12,14H2,1H3/b19-13-
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n/an/a 1.80n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 15 mins prior to substrate addition measure...


Bioorg Med Chem Lett 22: 4462-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.029
BindingDB Entry DOI: 10.7270/Q2PC33DC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50386065
PNG
(CHEMBL2043044)
Show SMILES COc1cc2C\C(=C\c3ccccn3)C(=O)c2cc1OCCN1CCCCC1
Show InChI InChI=1S/C23H26N2O3/c1-27-21-15-17-13-18(14-19-7-3-4-8-24-19)23(26)20(17)16-22(21)28-12-11-25-9-5-2-6-10-25/h3-4,7-8,14-16H,2,5-6,9-13H2,1H3/b18-14-
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n/an/a 4.40n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 15 mins prior to substrate addition measure...


Bioorg Med Chem Lett 22: 4462-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.029
BindingDB Entry DOI: 10.7270/Q2PC33DC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50080029
PNG
(4-((1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-...)
Show SMILES C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1
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n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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