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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'mann' and Initial = 'mc'   
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
Sialidase-2


(Homo sapiens (Human))
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
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1.70E+4n/an/an/an/an/an/an/an/a



PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 2


J Med Chem 53: 2998-3002 (2010)


Article DOI: 10.1021/jm100078r
BindingDB Entry DOI: 10.7270/Q2N58NBM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sialidase-2


(Homo sapiens (Human))
BDBM4706
PNG
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
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1.40E+5n/an/an/an/an/an/an/an/a



PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 2


J Med Chem 53: 2998-3002 (2010)


Article DOI: 10.1021/jm100078r
BindingDB Entry DOI: 10.7270/Q2N58NBM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sialidase-2


(Homo sapiens (Human))
BDBM5024
PNG
((-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylb...)
Show SMILES [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1
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3.30E+5n/an/an/an/an/an/an/an/a



PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 2


J Med Chem 53: 2998-3002 (2010)


Article DOI: 10.1021/jm100078r
BindingDB Entry DOI: 10.7270/Q2N58NBM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sialidase-2


(Homo sapiens (Human))
BDBM50314987
PNG
((2S,3R,4R)-3-acetamido-4-hydroxy-2-(3-hydroxypropo...)
Show SMILES CC(=O)N[C@@H]1[C@H](O)C=C(O[C@@H]1OCCCO)C(O)=O |r,c:7|
Show InChI InChI=1S/C11H17NO7/c1-6(14)12-9-7(15)5-8(10(16)17)19-11(9)18-4-2-3-13/h5,7,9,11,13,15H,2-4H2,1H3,(H,12,14)(H,16,17)/t7-,9-,11+/m1/s1
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7.40E+5n/an/an/an/an/an/an/an/a



PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 2


J Med Chem 53: 2998-3002 (2010)


Article DOI: 10.1021/jm100078r
BindingDB Entry DOI: 10.7270/Q2N58NBM
More data for this
Ligand-Target Pair
Sialidase-2


(Homo sapiens (Human))
BDBM50314988
PNG
((2S,3R,4R)-3-acetamido-4-hydroxy-2-isobutoxy-3,4-d...)
Show SMILES CC(C)CO[C@H]1OC(=C[C@@H](O)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C12H19NO6/c1-6(2)5-18-12-10(13-7(3)14)8(15)4-9(19-12)11(16)17/h4,6,8,10,12,15H,5H2,1-3H3,(H,13,14)(H,16,17)/t8-,10-,12+/m1/s1
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8.80E+5n/an/an/an/an/an/an/an/a



PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 2


J Med Chem 53: 2998-3002 (2010)


Article DOI: 10.1021/jm100078r
BindingDB Entry DOI: 10.7270/Q2N58NBM
More data for this
Ligand-Target Pair
Sialidase-2


(Homo sapiens (Human))
BDBM50314986
PNG
((2S,3R,4R)-3-acetamido-2-(2,3-dihydroxypropoxy)-4-...)
Show SMILES CC(=O)N[C@@H]1[C@H](O)C=C(O[C@@H]1OCC(O)CO)C(O)=O |r,c:7|
Show InChI InChI=1S/C11H17NO8/c1-5(14)12-9-7(16)2-8(10(17)18)20-11(9)19-4-6(15)3-13/h2,6-7,9,11,13,15-16H,3-4H2,1H3,(H,12,14)(H,17,18)/t6?,7-,9-,11+/m1/s1
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1.40E+6n/an/an/an/an/an/an/an/a



PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 2


J Med Chem 53: 2998-3002 (2010)


Article DOI: 10.1021/jm100078r
BindingDB Entry DOI: 10.7270/Q2N58NBM
More data for this
Ligand-Target Pair