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Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'fernandes' and Initial = 'pa'   
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
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402966
PNG
(CHEMBL2206824)
Show SMILES O[C@H]1CN[C@H](CN[C@@H](CNC(=O)c2ccccc2Br)c2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C20H24BrN3O3/c21-15-9-5-4-8-14(15)20(27)24-10-16(13-6-2-1-3-7-13)22-11-17-19(26)18(25)12-23-17/h1-9,16-19,22-23,25-26H,10-12H2,(H,24,27)/t16-,17+,18-,19+/m0/s1
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160n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402972
PNG
(CHEMBL2206818)
Show SMILES O[C@H]1CN[C@H](CN[C@@H](COCc2ccccc2)c2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C20H26N2O3/c23-19-12-22-17(20(19)24)11-21-18(16-9-5-2-6-10-16)14-25-13-15-7-3-1-4-8-15/h1-10,17-24H,11-14H2/t17-,18+,19+,20-/m1/s1
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230n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402967
PNG
(CHEMBL2206823)
Show SMILES O[C@H]1CN[C@H](CN[C@@H](COCOc2ccc(Br)cc2)c2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C20H25BrN2O4/c21-15-6-8-16(9-7-15)27-13-26-12-18(14-4-2-1-3-5-14)22-10-17-20(25)19(24)11-23-17/h1-9,17-20,22-25H,10-13H2/t17-,18+,19+,20-/m1/s1
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310n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402968
PNG
(CHEMBL2206822)
Show SMILES O[C@H]1CN[C@H](CN[C@@H](COCOc2cccc(Br)c2)c2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C20H25BrN2O4/c21-15-7-4-8-16(9-15)27-13-26-12-18(14-5-2-1-3-6-14)22-10-17-20(25)19(24)11-23-17/h1-9,17-20,22-25H,10-13H2/t17-,18+,19+,20-/m1/s1
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310n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402969
PNG
(CHEMBL2206821)
Show SMILES O[C@H]1CN[C@H](CN[C@@H](COCOc2ccc(F)cc2)c2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C20H25FN2O4/c21-15-6-8-16(9-7-15)27-13-26-12-18(14-4-2-1-3-5-14)22-10-17-20(25)19(24)11-23-17/h1-9,17-20,22-25H,10-13H2/t17-,18+,19+,20-/m1/s1
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440n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402971
PNG
(CHEMBL2206819)
Show SMILES O[C@H]1CN[C@H](CN[C@@H](COCc2cccc(F)c2)c2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C20H25FN2O3/c21-16-8-4-5-14(9-16)12-26-13-18(15-6-2-1-3-7-15)22-10-17-20(25)19(24)11-23-17/h1-9,17-20,22-25H,10-13H2/t17-,18+,19+,20-/m1/s1
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760n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50169002
PNG
((2R,3R,4S)-2-[((S)-Phenyl-1-(R)-2-hydroxy-2-phenyl...)
Show SMILES O[C@H]([C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H24N2O3/c22-16-12-20-15(19(16)24)11-21-17(13-7-3-1-4-8-13)18(23)14-9-5-2-6-10-14/h1-10,15-24H,11-12H2/t15-,16+,17-,18+,19-/m1/s1
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790n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402970
PNG
(CHEMBL2206820)
Show SMILES O[C@H]1CN[C@H](CN[C@@H](COCOc2ccccc2F)c2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C20H25FN2O4/c21-15-8-4-5-9-19(15)27-13-26-12-17(14-6-2-1-3-7-14)22-10-16-20(25)18(24)11-23-16/h1-9,16-18,20,22-25H,10-13H2/t16-,17+,18+,20-/m1/s1
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910n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50234567
PNG
(1,4-dideoxy-1,4-imino-D-ribitol | CHEMBL261634 | I...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4+,5-/m1/s1
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1.26E+3n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402989
PNG
(CHEMBL2206825)
Show SMILES NC[C@H]1NC[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C5H12N2O2/c6-1-3-5(9)4(8)2-7-3/h3-5,7-9H,1-2,6H2/t3-,4+,5-/m1/s1
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1.59E+3n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50168990
PNG
((2R,3R,4S)-2-[((R)-Phenyl-1-(S)-2-hydroxy-2-phenyl...)
Show SMILES O[C@@H]([C@@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H24N2O3/c22-16-12-20-15(19(16)24)11-21-17(13-7-3-1-4-8-13)18(23)14-9-5-2-6-10-14/h1-10,15-24H,11-12H2/t15-,16+,17+,18-,19-/m1/s1
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2.62E+3n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402978
PNG
(CHEMBL2207396)
Show SMILES O[C@H]1CNC[C@H]1O |r|
Show InChI InChI=1S/C4H9NO2/c6-3-1-5-2-4(3)7/h3-7H,1-2H2/t3-,4+
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3.24E+3n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50402966
PNG
(CHEMBL2206824)
Show SMILES O[C@H]1CN[C@H](CN[C@@H](CNC(=O)c2ccccc2Br)c2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C20H24BrN3O3/c21-15-9-5-4-8-14(15)20(27)24-10-16(13-6-2-1-3-7-13)22-11-17-19(26)18(25)12-23-17/h1-9,16-19,22-23,25-26H,10-12H2,(H,24,27)/t16-,17+,18-,19+/m0/s1
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4.35E+3n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM166688
PNG
(2-Amino-2-(aminomethyl)-6-(1-carboxy-4-(2-nitrogua...)
Show SMILES NCC(N)(CCCC(=O)NC(CCCNC(N)=N[N+]([O-])=O)C(O)=O)C(O)=O |w:17.17|
Show InChI InChI=1S/C13H25N7O7/c14-7-13(16,11(24)25)5-1-4-9(21)18-8(10(22)23)3-2-6-17-12(15)19-20(26)27/h8H,1-7,14,16H2,(H,18,21)(H,22,23)(H,24,25)(H3,15,17,19)
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6.20E+3n/an/an/an/an/an/an/an/a



Universidade de Lisboa



Assay Description
The iNOS activity assay was based on the method of hemoglobin assay previously described with slight modifications. The activity of the enzyme was de...


Chem Biol Drug Des 86: 1072-86 (2015)


Article DOI: 10.1111/cbdd.12575
BindingDB Entry DOI: 10.7270/Q2ST7NMM
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50402969
PNG
(CHEMBL2206821)
Show SMILES O[C@H]1CN[C@H](CN[C@@H](COCOc2ccc(F)cc2)c2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C20H25FN2O4/c21-15-6-8-16(9-7-15)27-13-26-12-18(14-4-2-1-3-5-14)22-10-17-20(25)19(24)11-23-17/h1-9,17-20,22-25H,10-13H2/t17-,18+,19+,20-/m1/s1
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6.47E+3n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50169002
PNG
((2R,3R,4S)-2-[((S)-Phenyl-1-(R)-2-hydroxy-2-phenyl...)
Show SMILES O[C@H]([C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H24N2O3/c22-16-12-20-15(19(16)24)11-21-17(13-7-3-1-4-8-13)18(23)14-9-5-2-6-10-14/h1-10,15-24H,11-12H2/t15-,16+,17-,18+,19-/m1/s1
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7.77E+3n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50402971
PNG
(CHEMBL2206819)
Show SMILES O[C@H]1CN[C@H](CN[C@@H](COCc2cccc(F)c2)c2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C20H25FN2O3/c21-16-8-4-5-14(9-16)12-26-13-18(15-6-2-1-3-7-15)22-10-17-20(25)19(24)11-23-17/h1-9,17-20,22-25H,10-13H2/t17-,18+,19+,20-/m1/s1
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9.14E+3n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50402970
PNG
(CHEMBL2206820)
Show SMILES O[C@H]1CN[C@H](CN[C@@H](COCOc2ccccc2F)c2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C20H25FN2O4/c21-15-8-4-5-9-19(15)27-13-26-12-17(14-6-2-1-3-7-14)22-10-16-20(25)18(24)11-23-16/h1-9,16-18,20,22-25H,10-13H2/t16-,17+,18+,20-/m1/s1
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1.13E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50402974
PNG
(CHEMBL2206816)
Show SMILES OC[C@H](NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C14H22N2O4/c17-7-11(9-4-2-1-3-5-9)15-6-10-13(19)14(20)12(8-18)16-10/h1-5,10-20H,6-8H2/t10-,11+,12-,13-,14+/m1/s1
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1.18E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50169001
PNG
((2R,3R,4S)-2-({[(1S)-2-HYDROXY-1-PHENYLETHYL]AMINO...)
Show SMILES OC[C@@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1
Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11-,12+,13-/m1/s1
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1.20E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402973
PNG
(CHEMBL2206817)
Show SMILES COC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C14H22N2O3/c1-19-9-12(10-5-3-2-4-6-10)15-7-11-14(18)13(17)8-16-11/h2-6,11-18H,7-9H2,1H3/t11-,12+,13+,14-/m1/s1
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1.21E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50402968
PNG
(CHEMBL2206822)
Show SMILES O[C@H]1CN[C@H](CN[C@@H](COCOc2cccc(Br)c2)c2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C20H25BrN2O4/c21-15-7-4-8-16(9-15)27-13-26-12-18(14-5-2-1-3-6-14)22-10-17-20(25)19(24)11-23-17/h1-9,17-20,22-25H,10-13H2/t17-,18+,19+,20-/m1/s1
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1.28E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402985
PNG
(CHEMBL2206829)
Show SMILES O[C@H]1CN[C@H](CNCC2CCN(Cc3ccccc3)CC2)[C@H]1O |r|
Show InChI InChI=1S/C18H29N3O2/c22-17-12-20-16(18(17)23)11-19-10-14-6-8-21(9-7-14)13-15-4-2-1-3-5-15/h1-5,14,16-20,22-23H,6-13H2/t16-,17+,18-/m1/s1
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1.31E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50402967
PNG
(CHEMBL2206823)
Show SMILES O[C@H]1CN[C@H](CN[C@@H](COCOc2ccc(Br)cc2)c2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C20H25BrN2O4/c21-15-6-8-16(9-7-15)27-13-26-12-18(14-4-2-1-3-5-14)22-10-17-20(25)19(24)11-23-17/h1-9,17-20,22-25H,10-13H2/t17-,18+,19+,20-/m1/s1
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1.55E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50168988
PNG
((2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO...)
Show SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1
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1.68E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402974
PNG
(CHEMBL2206816)
Show SMILES OC[C@H](NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C14H22N2O4/c17-7-11(9-4-2-1-3-5-9)15-6-10-13(19)14(20)12(8-18)16-10/h1-5,10-20H,6-8H2/t10-,11+,12-,13-,14+/m1/s1
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2.46E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50168990
PNG
((2R,3R,4S)-2-[((R)-Phenyl-1-(S)-2-hydroxy-2-phenyl...)
Show SMILES O[C@@H]([C@@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H24N2O3/c22-16-12-20-15(19(16)24)11-21-17(13-7-3-1-4-8-13)18(23)14-9-5-2-6-10-14/h1-10,15-24H,11-12H2/t15-,16+,17+,18-,19-/m1/s1
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2.59E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50168988
PNG
((2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO...)
Show SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1
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2.69E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402981
PNG
(CHEMBL2207393)
Show SMILES CC(NC[C@H]1NC[C@H](O)[C@@H]1O)C(O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H26N2O3/c1-14(21-12-17-19(24)18(23)13-22-17)20(25,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17-19,21-25H,12-13H2,1H3/t14?,17-,18+,19-/m1/s1
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2.71E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402980
PNG
(CHEMBL2207394)
Show SMILES CC(NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C13H20N2O2/c1-9(10-5-3-2-4-6-10)14-7-11-13(17)12(16)8-15-11/h2-6,9,11-17H,7-8H2,1H3/t9?,11-,12+,13-/m1/s1
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2.81E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM166687
PNG
(2-Amino-2-(aminomethyl)-5-(3-nitroguanidino)pentan...)
Show SMILES NCC(N)(CCCNC(=N)N[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C7H16N6O4/c8-4-7(10,5(14)15)2-1-3-11-6(9)12-13(16)17/h1-4,8,10H2,(H,14,15)(H3,9,11,12)
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2.94E+4n/an/an/an/an/an/an/an/a



Universidade de Lisboa



Assay Description
The iNOS activity assay was based on the method of hemoglobin assay previously described with slight modifications. The activity of the enzyme was de...


Chem Biol Drug Des 86: 1072-86 (2015)


Article DOI: 10.1111/cbdd.12575
BindingDB Entry DOI: 10.7270/Q2ST7NMM
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50169001
PNG
((2R,3R,4S)-2-({[(1S)-2-HYDROXY-1-PHENYLETHYL]AMINO...)
Show SMILES OC[C@@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1
Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11-,12+,13-/m1/s1
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2.99E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50168993
PNG
((2R,3R,4S)-2-(Benzylamino-methyl)-pyrrolidine-3,4-...)
Show SMILES O[C@H]1CN[C@H](CNCc2ccccc2)[C@H]1O
Show InChI InChI=1S/C12H18N2O2/c15-11-8-14-10(12(11)16)7-13-6-9-4-2-1-3-5-9/h1-5,10-16H,6-8H2/t10-,11+,12-/m1/s1
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3.50E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50402973
PNG
(CHEMBL2206817)
Show SMILES COC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C14H22N2O3/c1-19-9-12(10-5-3-2-4-6-10)15-7-11-14(18)13(17)8-16-11/h2-6,11-18H,7-9H2,1H3/t11-,12+,13+,14-/m1/s1
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3.60E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50402985
PNG
(CHEMBL2206829)
Show SMILES O[C@H]1CN[C@H](CNCC2CCN(Cc3ccccc3)CC2)[C@H]1O |r|
Show InChI InChI=1S/C18H29N3O2/c22-17-12-20-16(18(17)23)11-19-10-14-6-8-21(9-7-14)13-15-4-2-1-3-5-15/h1-5,14,16-20,22-23H,6-13H2/t16-,17+,18-/m1/s1
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4.32E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402979
PNG
(CHEMBL2207395)
Show SMILES CC(=O)N(CNC[C@H]1NC[C@H](O)[C@@H]1O)Cc1ccccc1 |r|
Show InChI InChI=1S/C15H23N3O3/c1-11(19)18(9-12-5-3-2-4-6-12)10-16-7-13-15(21)14(20)8-17-13/h2-6,13-17,20-21H,7-10H2,1H3/t13-,14+,15-/m1/s1
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4.48E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM166691
PNG
(4-{3-[(1-carboxylato-4-{[iminiumyl(nitroamino)meth...)
Show SMILES [O-]C(=O)C(CCCNC(=[NH2+])N[N+]([O-])=O)NC(=O)CCCC12C[NH2+][Re]([NH2+]1)(OC2=O)(C=O)(C=O)C=O
Show InChI InChI=1S/C13H25N7O7.3CHO.Re/c14-7-13(16,11(24)25)5-1-4-9(21)18-8(10(22)23)3-2-6-17-12(15)19-20(26)27;3*1-2;/h8H,1-7,14,16H2,(H,18,21)(H,22,23)(H,24,25)(H3,15,17,19);3*1H;/q;;;;+3/p-1
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5.72E+4n/an/an/an/an/an/an/an/a



Universidade de Lisboa



Assay Description
The iNOS activity assay was based on the method of hemoglobin assay previously described with slight modifications. The activity of the enzyme was de...


Chem Biol Drug Des 86: 1072-86 (2015)


Article DOI: 10.1111/cbdd.12575
BindingDB Entry DOI: 10.7270/Q2ST7NMM
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50402979
PNG
(CHEMBL2207395)
Show SMILES CC(=O)N(CNC[C@H]1NC[C@H](O)[C@@H]1O)Cc1ccccc1 |r|
Show InChI InChI=1S/C15H23N3O3/c1-11(19)18(9-12-5-3-2-4-6-12)10-16-7-13-15(21)14(20)8-17-13/h2-6,13-17,20-21H,7-10H2,1H3/t13-,14+,15-/m1/s1
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6.49E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402986
PNG
(CHEMBL2206828)
Show SMILES O[C@H]1CN[C@H](CNC2CCCC2)[C@H]1O |r|
Show InChI InChI=1S/C10H20N2O2/c13-9-6-12-8(10(9)14)5-11-7-3-1-2-4-7/h7-14H,1-6H2/t8-,9+,10-/m1/s1
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6.69E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50402972
PNG
(CHEMBL2206818)
Show SMILES O[C@H]1CN[C@H](CN[C@@H](COCc2ccccc2)c2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C20H26N2O3/c23-19-12-22-17(20(19)24)11-21-18(16-9-5-2-6-10-16)14-25-13-15-7-3-1-4-8-15/h1-10,17-24H,11-14H2/t17-,18+,19+,20-/m1/s1
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6.83E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402976
PNG
(CHEMBL2207398)
Show SMILES O[C@H]1CN[C@H](CCNc2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C12H18N2O2/c15-11-8-14-10(12(11)16)6-7-13-9-4-2-1-3-5-9/h1-5,10-16H,6-8H2/t10-,11+,12-/m1/s1
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7.43E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402983
PNG
(CHEMBL2207391)
Show SMILES O[C@H]1CN[C@H](CNCc2cccs2)[C@H]1O |r|
Show InChI InChI=1S/C10H16N2O2S/c13-9-6-12-8(10(9)14)5-11-4-7-2-1-3-15-7/h1-3,8-14H,4-6H2/t8-,9+,10-/m1/s1
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7.77E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50402981
PNG
(CHEMBL2207393)
Show SMILES CC(NC[C@H]1NC[C@H](O)[C@@H]1O)C(O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H26N2O3/c1-14(21-12-17-19(24)18(23)13-22-17)20(25,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17-19,21-25H,12-13H2,1H3/t14?,17-,18+,19-/m1/s1
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8.09E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50402980
PNG
(CHEMBL2207394)
Show SMILES CC(NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C13H20N2O2/c1-9(10-5-3-2-4-6-10)14-7-11-13(17)12(16)8-15-11/h2-6,9,11-17H,7-8H2,1H3/t9?,11-,12+,13-/m1/s1
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8.24E+4n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50402976
PNG
(CHEMBL2207398)
Show SMILES O[C@H]1CN[C@H](CCNc2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C12H18N2O2/c15-11-8-14-10(12(11)16)6-7-13-9-4-2-1-3-5-9/h1-5,10-16H,6-8H2/t10-,11+,12-/m1/s1
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1.23E+5n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402984
PNG
(CHEMBL2207390)
Show SMILES O[C@H]1CN[C@H](CNCc2ccco2)[C@H]1O |r|
Show InChI InChI=1S/C10H16N2O3/c13-9-6-12-8(10(9)14)5-11-4-7-2-1-3-15-7/h1-3,8-14H,4-6H2/t8-,9+,10-/m1/s1
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1.36E+5n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50168993
PNG
((2R,3R,4S)-2-(Benzylamino-methyl)-pyrrolidine-3,4-...)
Show SMILES O[C@H]1CN[C@H](CNCc2ccccc2)[C@H]1O
Show InChI InChI=1S/C12H18N2O2/c15-11-8-14-10(12(11)16)7-13-6-9-4-2-1-3-5-9/h1-5,10-16H,6-8H2/t10-,11+,12-/m1/s1
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1.52E+5n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens (Human))
BDBM50402977
PNG
(CHEMBL2207397)
Show SMILES OCC(O)[C@H]1NC[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO4/c8-2-4(10)5-6(11)3(9)1-7-5/h3-11H,1-2H2/t3-,4?,5+,6-/m0/s1
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1.69E+5n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50402977
PNG
(CHEMBL2207397)
Show SMILES OCC(O)[C@H]1NC[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO4/c8-2-4(10)5-6(11)3(9)1-7-5/h3-11H,1-2H2/t3-,4?,5+,6-/m0/s1
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2.29E+5n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50402983
PNG
(CHEMBL2207391)
Show SMILES O[C@H]1CN[C@H](CNCc2cccs2)[C@H]1O |r|
Show InChI InChI=1S/C10H16N2O2S/c13-9-6-12-8(10(9)14)5-11-4-7-2-1-3-15-7/h1-3,8-14H,4-6H2/t8-,9+,10-/m1/s1
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2.33E+5n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
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