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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'allman' and Initial = 's'   
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
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50337386
PNG
(CHEMBL1682493 | Noeurostegine)
Show SMILES OC[C@H]1[C@H]2CC[C@](O)(N2)[C@@H](O)[C@@H]1O |r,TLB:12:11:8:4.5,1:2:8:4.5,THB:10:9:8:4.5|
Show InChI InChI=1S/C8H15NO4/c10-3-4-5-1-2-8(13,9-5)7(12)6(4)11/h4-7,9-13H,1-3H2/t4-,5+,6+,7-,8+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Inhibition of partially purified human placental beta-glucocerebrosidase after 15 to 60 mins


Bioorg Med Chem Lett 21: 1519-22 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.106
BindingDB Entry DOI: 10.7270/Q279450G
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM36389
PNG
(8-Aza-bicyclo[3.2.1]octane-1,2,3,4-tetraol, 14 | C...)
Show SMILES O[C@H]1[C@H]2CC[C@](O)(N2)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Inhibition of partially purified human placental beta-glucocerebrosidase after 15 to 60 mins


Bioorg Med Chem Lett 21: 1519-22 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.106
BindingDB Entry DOI: 10.7270/Q279450G
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50337388
PNG
((1R,2S,3R,4R,5R)-4-(hydroxymethyl)-8-nonyl-8-azabi...)
Show SMILES CCCCCCCCCN1[C@@H]2CC[C@@]1(O)[C@@H](O)[C@H](O)[C@H]2CO |r,TLB:16:15:9:11.12,THB:18:17:9:11.12,20:19:9:11.12|
Show InChI InChI=1S/C17H33NO4/c1-2-3-4-5-6-7-8-11-18-14-9-10-17(18,22)16(21)15(20)13(14)12-19/h13-16,19-22H,2-12H2,1H3/t13-,14+,15+,16-,17+/m0/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Inhibition of partially purified human placental beta-glucocerebrosidase after 15 to 60 mins


Bioorg Med Chem Lett 21: 1519-22 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.106
BindingDB Entry DOI: 10.7270/Q279450G
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50337387
PNG
((1R,2S,3R,4R,5R)-8-butyl-4-(hydroxymethyl)-8-azabi...)
Show SMILES CCCCN1[C@@H]2CC[C@@]1(O)[C@@H](O)[C@H](O)[C@H]2CO |r,TLB:11:10:4:6.7,THB:13:12:4:6.7,15:14:4:6.7|
Show InChI InChI=1S/C12H23NO4/c1-2-3-6-13-9-4-5-12(13,17)11(16)10(15)8(9)7-14/h8-11,14-17H,2-7H2,1H3/t8-,9+,10+,11-,12+/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Inhibition of partially purified human placental beta-glucocerebrosidase after 15 to 60 mins


Bioorg Med Chem Lett 21: 1519-22 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.106
BindingDB Entry DOI: 10.7270/Q279450G
More data for this
Ligand-Target Pair