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Compile Data Set for Download or QSAR

Found 4 hits from ACADEMISCH MEDISCH CENTRUM BIJ UNIVERSITEIT VAN AMSTERDAM   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM162702
PNG
(US9056847, Fluorophore 1-cyclophellitol)
Show SMILES CC1=CC(C)=[N+]2C1=C(CCCCc1cn(C[C@H]3[C@H]4O[C@H]4[C@H](O)[C@@H](O)[C@@H]3O)nn1)c1c(C)cc(C)n1[B-]2(F)F
Show InChI InChI=1S/C26H34BF2N5O4/c1-13-9-15(3)33-20(13)18(21-14(2)10-16(4)34(21)27(33,28)29)8-6-5-7-17-11-32(31-30-17)12-19-22(35)23(36)24(37)26-25(19)38-26/h9-11,19,22-26,35-37H,5-8,12H2,1-4H3/t19-,22-,23+,24-,25-,26+/m1/s1
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US Patent
0.950n/a 2n/an/an/an/an/an/a



ACADEMISCH MEDISCH CENTRUM BIJ UNIVERSITEIT VAN AMSTERDAM

US Patent


Assay Description
Activity of GBA was measured at 37 C. with 4-methylumbelliferyl β-D-glucopyranoside as substrate as reported previously. To determine the IC50 ...


US Patent US9056847 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GG7
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM60418
PNG
(US9056847, Fluorophore 2-cyclophellitol)
Show SMILES COc1ccc(cc1)C1=[N+]2C(C=C1)=C(CCCCc1cn(C[C@H]3[C@H]4O[C@H]4[C@H](O)[C@@H](O)[C@@H]3O)nn1)c1ccc(-c3ccc(OC)cc3)n1[B-]2(F)F
Show InChI InChI=1S/C36H38BF2N5O6/c1-48-24-11-7-21(8-12-24)28-15-17-30-26(31-18-16-29(44(31)37(38,39)43(28)30)22-9-13-25(49-2)14-10-22)6-4-3-5-23-19-42(41-40-23)20-27-32(45)33(46)34(47)36-35(27)50-36/h7-19,27,32-36,45-47H,3-6,20H2,1-2H3/t27-,32-,33+,34-,35-,36+/m1/s1
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1.56n/an/an/an/an/an/an/an/a



ACADEMISCH MEDISCH CENTRUM BIJ UNIVERSITEIT VAN AMSTERDAM

US Patent


Assay Description
Activity of GBA was measured at 37 C. with 4-methylumbelliferyl β-D-glucopyranoside as substrate as reported previously. To determine the IC50 ...


US Patent US9056847 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GG7
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM36513
PNG
(CID46912128 | KY170, 4 | US9056847, Azido-cyclophe...)
Show SMILES O[C@H]1[C@@H]2O[C@@H]2[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C7H11N3O4/c8-10-9-1-2-3(11)4(12)5(13)7-6(2)14-7/h2-7,11-13H,1H2/t2-,3-,4+,5-,6-,7+/m1/s1
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83n/a 150n/an/an/an/an/an/a



ACADEMISCH MEDISCH CENTRUM BIJ UNIVERSITEIT VAN AMSTERDAM

US Patent


Assay Description
Activity of GBA was measured at 37 C. with 4-methylumbelliferyl β-D-glucopyranoside as substrate as reported previously. To determine the IC50 ...


US Patent US9056847 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GG7
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM50078114
PNG
((1S,2R,3S,4S,5R,6R)-7-Oxa-bicyclo[4.1.0]heptane-2,...)
Show SMILES O[C@H]1[C@H]2O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H/t1-,2-,3+,4+,5-,6+/m0/s1
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PC cid
PC sid
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US Patent
7.73E+3n/a 1.20E+4n/an/an/an/an/an/a



ACADEMISCH MEDISCH CENTRUM BIJ UNIVERSITEIT VAN AMSTERDAM

US Patent


Assay Description
Activity of GBA was measured at 37 C. with 4-methylumbelliferyl β-D-glucopyranoside as substrate as reported previously. To determine the IC50 ...


US Patent US9056847 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GG7
More data for this
Ligand-Target Pair