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PubMed code 14684301

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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-galactosidase A


(Homo sapiens (Human))		BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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PubMed
 1.80E+4n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Compound tested for inhibition of alpha-galactosidase from Aspergillus niger

Bioorg Med Chem Lett 14: 73-5 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2925
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Alpha-galactosidase A


(Homo sapiens (Human))		BDBM50137351
PNG
(2-(R)-Amino-3-(3,4,5,6-tetrahydroxy-tetrahydro-pyr...)
Show SMILES C[C@@H](OC[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O)[C@H](N)C(O)=O
Show InChI InChI=1S/C10H19NO8/c1-3(5(11)9(15)16)18-2-4-6(12)7(13)8(14)10(17)19-4/h3-8,10,12-14,17H,2,11H2,1H3,(H,15,16)/t3-,4?,5+,6?,7?,8?,10?/m1/s1
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 3.00E+5n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Compound tested for inhibition of alpha-galactosidase from Aspergillus niger

Bioorg Med Chem Lett 14: 73-5 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2925
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))		BDBM50137350
PNG
(2-Amino-3-(3,4,5,6-tetrahydroxy-tetrahydro-pyran-2...)
Show SMILES N[C@@H](COC[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O)C(O)=O
Show InChI InChI=1S/C9H17NO8/c10-3(8(14)15)1-17-2-4-5(11)6(12)7(13)9(16)18-4/h3-7,9,11-13,16H,1-2,10H2,(H,14,15)/t3-,4?,5?,6?,7?,9?/m0/s1
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 4.00E+5n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Compound tested for inhibition of alpha-galactosidase from Aspergillus niger

Bioorg Med Chem Lett 14: 73-5 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2925
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%