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Compile Data Set for Download or QSAR

Found 58 hits of ki data for polymerid = 4944   
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
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84465
PNG
(Benzylation of mannostatin A, 1e)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C13H18BrNO3S/c1-19-13-9(10(16)11(17)12(13)18)15-6-7-2-4-8(14)5-3-7/h2-5,9-13,15-18H,6H2,1H3/t9-,10+,11+,12+,13+/m0/s1
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50 -43.3n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50078117
PNG
((1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTAN...)
Show SMILES CS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
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90 -41.8n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84464
PNG
(Benzylation of mannostatin A, 1d)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C13H18ClNO3S/c1-19-13-9(10(16)11(17)12(13)18)15-6-7-2-4-8(14)5-3-7/h2-5,9-13,15-18H,6H2,1H3/t9-,10+,11+,12+,13+/m0/s1
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100 -41.6n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84466
PNG
(Benzylation of mannostatin A, 1f)
Show SMILES COc1ccc(CN[C@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2SC)cc1 |r|
Show InChI InChI=1S/C14H21NO4S/c1-19-9-5-3-8(4-6-9)7-15-10-11(16)12(17)13(18)14(10)20-2/h3-6,10-18H,7H2,1-2H3/t10-,11+,12+,13+,14+/m0/s1
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100 -41.6n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84462
PNG
(Benzylation of mannostatin A, 1b)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccccc1 |r|
Show InChI InChI=1S/C13H19NO3S/c1-18-13-9(10(15)11(16)12(13)17)14-7-8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10+,11+,12+,13+/m0/s1
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110 -41.3n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84467
PNG
(Benzylation of mannostatin A, 1g)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccc(cc1)C(=O)OCC=C |r|
Show InChI InChI=1S/C17H23NO5S/c1-3-8-23-17(22)11-6-4-10(5-7-11)9-18-12-13(19)14(20)15(21)16(12)24-2/h3-7,12-16,18-21H,1,8-9H2,2H3/t12-,13+,14+,15+,16+/m0/s1
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140 -40.7n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84474
PNG
(Aminocyclopentitetrol, 2g)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccc(cc2)C(=O)OCC=C)[C@H]1O |r|
Show InChI InChI=1S/C16H21NO6/c1-2-7-23-16(22)10-5-3-9(4-6-10)8-17-11-12(18)14(20)15(21)13(11)19/h2-6,11-15,17-21H,1,7-8H2/t11-,12+,13-,14+,15-
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160 -40.3n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84463
PNG
(Benzylation of mannostatin A, 1c)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccc(F)cc1 |r|
Show InChI InChI=1S/C13H18FNO3S/c1-19-13-9(10(16)11(17)12(13)18)15-6-7-2-4-8(14)5-3-7/h2-5,9-13,15-18H,6H2,1H3/t9-,10+,11+,12+,13+/m0/s1
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170 -40.2n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM50078117
PNG
((1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTAN...)
Show SMILES CS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
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210 -39.6n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84472
PNG
(Aminocyclopentitetrol, 2e)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccc(Br)cc2)[C@H]1O |r|
Show InChI InChI=1S/C12H16BrNO4/c13-7-3-1-6(2-4-7)5-14-8-9(15)11(17)12(18)10(8)16/h1-4,8-12,14-18H,5H2/t8-,9+,10-,11+,12-
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330 -38.5n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84470
PNG
(Aminocyclopentitetrol, 2c)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccc(F)cc2)[C@H]1O |r|
Show InChI InChI=1S/C12H16FNO4/c13-7-3-1-6(2-4-7)5-14-8-9(15)11(17)12(18)10(8)16/h1-4,8-12,14-18H,5H2/t8-,9+,10-,11+,12-
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330 -38.5n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84469
PNG
(Aminocyclopentitetrol, 2b)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C12H17NO4/c14-9-8(10(15)12(17)11(9)16)13-6-7-4-2-1-3-5-7/h1-5,8-17H,6H2/t8-,9+,10-,11+,12-
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450 -37.7n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84473
PNG
(Aminocyclopentitetrol, 2f)
Show SMILES COc1ccc(CN[C@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C13H19NO5/c1-19-8-4-2-7(3-5-8)6-14-9-10(15)12(17)13(18)11(9)16/h2-5,9-18H,6H2,1H3/t9-,10+,11-,12+,13-
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480 -37.5n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84465
PNG
(Benzylation of mannostatin A, 1e)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C13H18BrNO3S/c1-19-13-9(10(16)11(17)12(13)18)15-6-7-2-4-8(14)5-3-7/h2-5,9-13,15-18H,6H2,1H3/t9-,10+,11+,12+,13+/m0/s1
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510 -37.4n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84466
PNG
(Benzylation of mannostatin A, 1f)
Show SMILES COc1ccc(CN[C@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2SC)cc1 |r|
Show InChI InChI=1S/C14H21NO4S/c1-19-9-5-3-8(4-6-9)7-15-10-11(16)12(17)13(18)14(10)20-2/h3-6,10-18H,7H2,1-2H3/t10-,11+,12+,13+,14+/m0/s1
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520 -37.3n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84463
PNG
(Benzylation of mannostatin A, 1c)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccc(F)cc1 |r|
Show InChI InChI=1S/C13H18FNO3S/c1-19-13-9(10(16)11(17)12(13)18)15-6-7-2-4-8(14)5-3-7/h2-5,9-13,15-18H,6H2,1H3/t9-,10+,11+,12+,13+/m0/s1
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530 -37.3n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84471
PNG
(Aminocyclopentitetrol, 2d)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccc(Cl)cc2)[C@H]1O |r|
Show InChI InChI=1S/C12H16ClNO4/c13-7-3-1-6(2-4-7)5-14-8-9(15)11(17)12(18)10(8)16/h1-4,8-12,14-18H,5H2/t8-,9+,10-,11+,12-
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670 -36.7n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84462
PNG
(Benzylation of mannostatin A, 1b)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccccc1 |r|
Show InChI InChI=1S/C13H19NO3S/c1-18-13-9(10(15)11(16)12(13)17)14-7-8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10+,11+,12+,13+/m0/s1
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880 -36.0n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84464
PNG
(Benzylation of mannostatin A, 1d)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C13H18ClNO3S/c1-19-13-9(10(16)11(17)12(13)18)15-6-7-2-4-8(14)5-3-7/h2-5,9-13,15-18H,6H2,1H3/t9-,10+,11+,12+,13+/m0/s1
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910 -35.9n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84467
PNG
(Benzylation of mannostatin A, 1g)
Show SMILES CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccc(cc1)C(=O)OCC=C |r|
Show InChI InChI=1S/C17H23NO5S/c1-3-8-23-17(22)11-6-4-10(5-7-11)9-18-12-13(19)14(20)15(21)16(12)24-2/h3-7,12-16,18-21H,1,8-9H2,2H3/t12-,13+,14+,15+,16+/m0/s1
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3.22E+3 -32.6n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
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
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84474
PNG
(Aminocyclopentitetrol, 2g)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccc(cc2)C(=O)OCC=C)[C@H]1O |r|
Show InChI InChI=1S/C16H21NO6/c1-2-7-23-16(22)10-5-3-9(4-6-10)8-17-11-12(18)14(20)15(21)13(11)19/h2-6,11-15,17-21H,1,7-8H2/t11-,12+,13-,14+,15-
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4.40E+3 -31.8n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84470
PNG
(Aminocyclopentitetrol, 2c)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccc(F)cc2)[C@H]1O |r|
Show InChI InChI=1S/C12H16FNO4/c13-7-3-1-6(2-4-7)5-14-8-9(15)11(17)12(18)10(8)16/h1-4,8-12,14-18H,5H2/t8-,9+,10-,11+,12-
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6.00E+3 -31.0n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
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))
BDBM84468
PNG
(Mannostatin analogue, 4b | Meso-aminocyclopentitet...)
Show SMILES N[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C5H11NO4/c6-1-2(7)4(9)5(10)3(1)8/h1-5,7-10H,6H2/t1-,2+,3-,4+,5-
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6.60E+3 -30.8n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84473
PNG
(Aminocyclopentitetrol, 2f)
Show SMILES COc1ccc(CN[C@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C13H19NO5/c1-19-8-4-2-7(3-5-8)6-14-9-10(15)12(17)13(18)11(9)16/h2-5,9-18H,6H2,1H3/t9-,10+,11-,12+,13-
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6.60E+3 -30.8n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84472
PNG
(Aminocyclopentitetrol, 2e)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccc(Br)cc2)[C@H]1O |r|
Show InChI InChI=1S/C12H16BrNO4/c13-7-3-1-6(2-4-7)5-14-8-9(15)11(17)12(18)10(8)16/h1-4,8-12,14-18H,5H2/t8-,9+,10-,11+,12-
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7.60E+3 -30.4n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
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))
BDBM84471
PNG
(Aminocyclopentitetrol, 2d)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccc(Cl)cc2)[C@H]1O |r|
Show InChI InChI=1S/C12H16ClNO4/c13-7-3-1-6(2-4-7)5-14-8-9(15)11(17)12(18)10(8)16/h1-4,8-12,14-18H,5H2/t8-,9+,10-,11+,12-
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8.10E+3 -30.2n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
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))
BDBM84469
PNG
(Aminocyclopentitetrol, 2b)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C12H17NO4/c14-9-8(10(15)12(17)11(9)16)13-6-7-4-2-1-3-5-7/h1-5,8-17H,6H2/t8-,9+,10-,11+,12-
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1.00E+4 -29.7n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
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
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
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
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
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
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
Alpha-mannosidase 2


(Homo sapiens (Human))
BDBM84468
PNG
(Mannostatin analogue, 4b | Meso-aminocyclopentitet...)
Show SMILES N[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C5H11NO4/c6-1-2(7)4(9)5(10)3(1)8/h1-5,7-10H,6H2/t1-,2+,3-,4+,5-
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5.00E+4 -25.5n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
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
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
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
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
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
Alpha-mannosidase 2


(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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2.92E+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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