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PubChem AID 1268

Compile data set for download or QSAR
Found 158 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
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42285
PNG
(2-[[5-(2-furanyl)-4-(3-methoxypropyl)-1,2,4-triazo...)
Show SMILES COCCCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccco1
Show InChI InChI=1S/C18H25N3O4S/c1-23-11-6-10-21-17(15-9-5-12-24-15)19-20-18(21)26-13-16(22)25-14-7-3-2-4-8-14/h5,9,12,14H,2-4,6-8,10-11,13H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42303
PNG
(2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(3-fluorop...)
Show SMILES Fc1cccc(NC(=O)CSc2ncnc3c4ccccc4oc23)c1
Show InChI InChI=1S/C18H12FN3O2S/c19-11-4-3-5-12(8-11)22-15(23)9-25-18-17-16(20-10-21-18)13-6-1-2-7-14(13)24-17/h1-8,10H,9H2,(H,22,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42308
PNG
(2-[2-oxidanylidene-3-[(4-oxidanylidene-6-propyl-1H...)
Show SMILES CCCc1cc(=O)[nH]c(SCC(=O)CSc2nc(CCC)cc(=O)[nH]2)n1
Show InChI InChI=1S/C17H22N4O3S2/c1-3-5-11-7-14(23)20-16(18-11)25-9-13(22)10-26-17-19-12(6-4-2)8-15(24)21-17/h7-8H,3-6,9-10H2,1-2H3,(H,18,20,23)(H,19,21,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM38381
PNG
(1-(5,5-diketo-9-methoxy-benzo[c][1,2]benzothiazin-...)
Show SMILES COc1ccc2N(C(C)=O)S(=O)(=O)c3ccccc3-c2c1
Show InChI InChI=1S/C15H13NO4S/c1-10(17)16-14-8-7-11(20-2)9-13(14)12-5-3-4-6-15(12)21(16,18)19/h3-9H,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42351
PNG
((3E)-3-[(4-chloroanilino)methylene]-2-(2-hydroxyet...)
Show SMILES Cc1cccn2c1nc(NCCO)c(C=Nc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C18H17ClN4O2/c1-12-3-2-9-23-17(12)22-16(20-8-10-24)15(18(23)25)11-21-14-6-4-13(19)5-7-14/h2-7,9,11,20,24H,8,10H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42357
PNG
(1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea |...)
Show SMILES Clc1ccc(NC(=O)NCCCn2ccnc2)cc1
Show InChI InChI=1S/C13H15ClN4O/c14-11-2-4-12(5-3-11)17-13(19)16-6-1-8-18-9-7-15-10-18/h2-5,7,9-10H,1,6,8H2,(H2,16,17,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42361
PNG
(4-[[2-[(5-ethyl-4,6-diketo-1H-pyrimidin-2-yl)thio]...)
Show SMILES CCOC(=O)c1ccc(NC(=O)CSc2nc(O)c(CC)c(=O)[nH]2)cc1
Show InChI InChI=1S/C17H19N3O5S/c1-3-12-14(22)19-17(20-15(12)23)26-9-13(21)18-11-7-5-10(6-8-11)16(24)25-4-2/h5-8H,3-4,9H2,1-2H3,(H,18,21)(H2,19,20,22,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42365
PNG
(4-[butyl(ethyl)sulfamoyl]-N-[5-(methylsulfanylmeth...)
Show SMILES CCCCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(CSC)o1
Show InChI InChI=1S/C17H24N4O4S2/c1-4-6-11-21(5-2)27(23,24)14-9-7-13(8-10-14)16(22)18-17-20-19-15(25-17)12-26-3/h7-10H,4-6,11-12H2,1-3H3,(H,18,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM38438
PNG
(3-amino-4-(4-methoxyphenyl)-N-(5-methyl-3-isoxazol...)
Show SMILES COc1ccc(cc1)-c1c2CCCc2nc2sc(C(=O)Nc3cc(C)on3)c(N)c12
Show InChI InChI=1S/C22H20N4O3S/c1-11-10-16(26-29-11)25-21(27)20-19(23)18-17(12-6-8-13(28-2)9-7-12)14-4-3-5-15(14)24-22(18)30-20/h6-10H,3-5,23H2,1-2H3,(H,25,26,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42394
PNG
(5-(1-methoxy-1-oxopropan-2-yl)oxy-1,2-dimethyl-3-i...)
Show SMILES CCOC(=O)c1c(C)n(C)c2ccc(OC(C)C(=O)OC)cc12
Show InChI InChI=1S/C17H21NO5/c1-6-22-17(20)15-10(2)18(4)14-8-7-12(9-13(14)15)23-11(3)16(19)21-5/h7-9,11H,6H2,1-5H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42399
PNG
(2-(butylthio)-5-(4-methylphenyl)-1,3,4-oxadiazole ...)
Show SMILES CCCCSc1nnc(o1)-c1ccc(C)cc1
Show InChI InChI=1S/C13H16N2OS/c1-3-4-9-17-13-15-14-12(16-13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42403
PNG
((4Z)-2-(allylthio)-4-(3-thenylidene)-2-thiazolin-5...)
Show SMILES C=CCSC1=N\C(=C/c2ccsc2)C(=O)S1
Show InChI InChI=1S/C11H9NOS3/c1-2-4-15-11-12-9(10(13)16-11)6-8-3-5-14-7-8/h2-3,5-7H,1,4H2/b9-6-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42406
PNG
(1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxylic acid...)
Show SMILES COC(=O)c1cn(nc1-c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C16H13N3O2/c1-21-16(20)14-11-19(13-7-3-2-4-8-13)18-15(14)12-6-5-9-17-10-12/h2-11H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42267
PNG
(2-[2-(benzotriazol-1-yl)ethanoyl-prop-2-enyl-amino...)
Show SMILES COCCNC(=O)C(N(CC=C)C(=O)Cn1nnc2ccccc12)c1ccc(OC)cc1OC
Show InChI InChI=1S/C24H29N5O5/c1-5-13-28(22(30)16-29-20-9-7-6-8-19(20)26-27-29)23(24(31)25-12-14-32-2)18-11-10-17(33-3)15-21(18)34-4/h5-11,15,23H,1,12-14,16H2,2-4H3,(H,25,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42287
PNG
(1-Cyclopentyl-4-{3-methyl-1-[1-(tetrahydro-furan-2...)
Show SMILES CC(C)CC(N1CCN(CC1)C1CCCC1)c1nnnn1CC1CCCO1
Show InChI InChI=1S/C20H36N6O/c1-16(2)14-19(20-21-22-23-26(20)15-18-8-5-13-27-18)25-11-9-24(10-12-25)17-6-3-4-7-17/h16-19H,3-15H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42290
PNG
(2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2-ox...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)NCC1CCCO1)c1ccccc1
Show InChI InChI=1S/C21H26N2O6S/c1-27-19-11-10-18(13-20(19)28-2)30(25,26)23(16-7-4-3-5-8-16)15-21(24)22-14-17-9-6-12-29-17/h3-5,7-8,10-11,13,17H,6,9,12,14-15H2,1-2H3,(H,22,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42293
PNG
(7-Methyl-imidazo[1,2-a]pyridine-2-carboxylic acid ...)
Show SMILES Cc1ccn2cc(nc2c1)C(=O)Nc1ccccc1N1CCOCC1
Show InChI InChI=1S/C19H20N4O2/c1-14-6-7-23-13-16(20-18(23)12-14)19(24)21-15-4-2-3-5-17(15)22-8-10-25-11-9-22/h2-7,12-13H,8-11H2,1H3,(H,21,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42297
PNG
(3-(2-chlorobenzyl)-4-keto-7,8,9,10-tetrahydro-6H-p...)
Show SMILES Clc1ccccc1Cn1cnc2c(C#N)c3CCCCCn3c2c1=O
Show InChI InChI=1S/C19H17ClN4O/c20-15-7-4-3-6-13(15)11-23-12-22-17-14(10-21)16-8-2-1-5-9-24(16)18(17)19(23)25/h3-4,6-7,12H,1-2,5,8-9,11H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42300
PNG
(MLS000042121 | N-(1,1-diketothiolan-3-yl)-2-(2-met...)
Show SMILES Cc1ccccc1OCC(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1
Show InChI InChI=1S/C18H21NO4S2/c1-14-5-2-3-7-17(14)23-12-18(20)19(11-16-6-4-9-24-16)15-8-10-25(21,22)13-15/h2-7,9,15H,8,10-13H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42306
PNG
(4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-[1...)
Show SMILES Cc1cc(C)nc(Sc2nc(C)nc3c4ccccc4oc23)n1
Show InChI InChI=1S/C17H14N4OS/c1-9-8-10(2)19-17(18-9)23-16-15-14(20-11(3)21-16)12-6-4-5-7-13(12)22-15/h4-8H,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM38084
PNG
(MLS000089904 | N,N-dimethyl-4-(1-methyl-2-benzimid...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C16H17N3/c1-18(2)13-10-8-12(9-11-13)16-17-14-6-4-5-7-15(14)19(16)3/h4-11H,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42315
PNG
(5-methyl-2-(3-methylphenyl)-7-thien-2-yl-4,7-dihyd...)
Show SMILES CC1=Nc2nc(nn2C(C1C(N)=O)c1cccs1)-c1cccc(C)c1
Show InChI InChI=1S/C18H17N5OS/c1-10-5-3-6-12(9-10)17-21-18-20-11(2)14(16(19)24)15(23(18)22-17)13-7-4-8-25-13/h3-9,14-15H,1-2H3,(H2,19,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42321
PNG
(4-hydroxy-2-keto-3-(3-methoxyphenyl)-N-piperonyl-1...)
Show SMILES COc1cccc(c1)N1C(=O)Nc2ccccc2C1(O)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C24H21N3O6/c1-31-17-6-4-5-16(12-17)27-23(29)26-19-8-3-2-7-18(19)24(27,30)22(28)25-13-15-9-10-20-21(11-15)33-14-32-20/h2-12,30H,13-14H2,1H3,(H,25,28)(H,26,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42325
PNG
(5-methyl-N-(3-pyridinyl)-7-pyridin-4-yl-1,7-dihydr...)
Show SMILES CC1=Nc2nnnn2C(C1C(=O)Nc1cccnc1)c1ccncc1
Show InChI InChI=1S/C16H14N8O/c1-10-13(15(25)20-12-3-2-6-18-9-12)14(11-4-7-17-8-5-11)24-16(19-10)21-22-23-24/h2-9,13-14H,1H3,(H,20,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42329
PNG
(7-[4-keto-4-[4-(2-pyrimidyl)piperazino]butyl]-6-th...)
Show SMILES O=C(CCCn1c(=S)[nH]c2cc3OCOc3cc2c1=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H22N6O4S/c28-18(25-7-9-26(10-8-25)20-22-4-2-5-23-20)3-1-6-27-19(29)14-11-16-17(31-13-30-16)12-15(14)24-21(27)32/h2,4-5,11-12H,1,3,6-10,13H2,(H,24,32)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42330
PNG
(2-[1-(4-fluorobenzoyl)-3,5-dihydro-2H-1,4-benzodia...)
Show SMILES COC(=O)CN1CCN(C(=O)c2ccc(F)cc2)c2ccccc2C1
Show InChI InChI=1S/C19H19FN2O3/c1-25-18(23)13-21-10-11-22(17-5-3-2-4-15(17)12-21)19(24)14-6-8-16(20)9-7-14/h2-9H,10-13H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42341
PNG
(2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-(4,5...)
Show SMILES CCC(Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1nc2CCCCc2s1
Show InChI InChI=1S/C16H20N4O2S2/c1-3-11(23-15-17-9(2)8-13(21)19-15)14(22)20-16-18-10-6-4-5-7-12(10)24-16/h8,11H,3-7H2,1-2H3,(H,17,19,21)(H,18,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42345
PNG
(2-furfuryl-[4-(3-methoxyphenyl)-6-(trifluoromethyl...)
Show SMILES COc1cccc(c1)-c1cc(nc(NCc2ccco2)n1)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2/c1-24-12-5-2-4-11(8-12)14-9-15(17(18,19)20)23-16(22-14)21-10-13-6-3-7-25-13/h2-9H,10H2,1H3,(H,21,22,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42347
PNG
((2,2-dimethyl-4-oxo-3,4-dihydro-1,5-benzothiazepin...)
Show SMILES CC1(C)CC(=O)N(CC(O)=O)c2ccccc2S1
Show InChI InChI=1S/C13H15NO3S/c1-13(2)7-11(15)14(8-12(16)17)9-5-3-4-6-10(9)18-13/h3-6H,7-8H2,1-2H3,(H,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42356
PNG
(3-[(4-methylphenyl)sulfonylamino]-4-(1-piperidinyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C19H22N2O4S/c1-14-5-8-16(9-6-14)26(24,25)20-17-13-15(19(22)23)7-10-18(17)21-11-3-2-4-12-21/h5-10,13,20H,2-4,11-12H2,1H3,(H,22,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42359
PNG
(2-isopropyl-N~7~-(3-methoxyphenyl)-N~3~-(2-methylc...)
Show SMILES COc1cccc(NC(=O)C2C3OC4(C=C3)C2C(=O)N(C(C)C)C4C(=O)NC2CCCCC2C)c1
Show InChI InChI=1S/C27H35N3O5/c1-15(2)30-23(25(32)29-19-11-6-5-8-16(19)3)27-13-12-20(35-27)21(22(27)26(30)33)24(31)28-17-9-7-10-18(14-17)34-4/h7,9-10,12-16,19-23H,5-6,8,11H2,1-4H3,(H,28,31)(H,29,32)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42372
PNG
(MLS000044409 | N-cyclopropyl-3-(3,4-dichlorophenyl...)
Show SMILES OC1(N(C(=O)Nc2ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)NC1CC1
Show InChI InChI=1S/C18H15Cl2N3O3/c19-13-8-7-11(9-14(13)20)23-17(25)22-15-4-2-1-3-12(15)18(23,26)16(24)21-10-5-6-10/h1-4,7-10,26H,5-6H2,(H,21,24)(H,22,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM33437
PNG
((5-amino-3-phenyl-1,2,4-triazol-1-yl)-(3,4-dimetho...)
Show SMILES COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccccc1
Show InChI InChI=1S/C17H16N4O3/c1-23-13-9-8-12(10-14(13)24-2)16(22)21-17(18)19-15(20-21)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,18,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42395
PNG
(2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]...)
Show SMILES Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1N1CCOCC1
Show InChI InChI=1S/C22H25N5O2S/c1-26-20(15-17-7-3-2-4-8-17)24-25-22(26)30-16-21(28)23-18-9-5-6-10-19(18)27-11-13-29-14-12-27/h2-10H,11-16H2,1H3,(H,23,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42400
PNG
(2-(3-methyl-2-methylimino-4-oxidanylidene-1,3-thia...)
Show SMILES C\N=C1\SC(CC(=O)Nc2cccc(c2)C(F)(F)F)C(=O)N1C
Show InChI InChI=1S/C14H14F3N3O2S/c1-18-13-20(2)12(22)10(23-13)7-11(21)19-9-5-3-4-8(6-9)14(15,16)17/h3-6,10H,7H2,1-2H3,(H,19,21)/b18-13+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42402
PNG
((3aS,4S,9bS)-8-methyl-4-(4-pyridyl)-2,3,3a,4,5,9b-...)
Show SMILES Cc1ccc2N[C@@H]([C@@H]3CCO[C@@H]3c2c1)c1ccncc1
Show InChI InChI=1S/C17H18N2O/c1-11-2-3-15-14(10-11)17-13(6-9-20-17)16(19-15)12-4-7-18-8-5-12/h2-5,7-8,10,13,16-17,19H,6,9H2,1H3/t13-,16+,17-/m0/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM32259
PNG
(4-(6-methyl-5-imidazo[2,1-b]thiazolyl)-N-(4-methyl...)
Show SMILES Cc1nc2sccn2c1-c1csc(Nc2cc(C)ccn2)n1
Show InChI InChI=1S/C15H13N5S2/c1-9-3-4-16-12(7-9)19-14-18-11(8-22-14)13-10(2)17-15-20(13)5-6-21-15/h3-8H,1-2H3,(H,16,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM30999
PNG
(MLS000031858 | N-(4-Ethyl-phenyl)-2-(2-methylsulfa...)
Show SMILES CCc1ccc(NC(=O)Cn2c(SC)nc3ccccc23)cc1
Show InChI InChI=1S/C18H19N3OS/c1-3-13-8-10-14(11-9-13)19-17(22)12-21-16-7-5-4-6-15(16)20-18(21)23-2/h4-11H,3,12H2,1-2H3,(H,19,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42271
PNG
((2',4'-Dimethyl-[4,5']bithiazolyl-2-yl...)
Show SMILES Cc1nc(C)c(s1)-c1csc(NCc2ccco2)n1
Show InChI InChI=1S/C13H13N3OS2/c1-8-12(19-9(2)15-8)11-7-18-13(16-11)14-6-10-4-3-5-17-10/h3-5,7H,6H2,1-2H3,(H,14,16)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42279
PNG
(4-(4-Ethyl-piperazin-1-yl)-2-pyridin-3-yl-quinazol...)
Show SMILES CCN1CCN(CC1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C19H21N5/c1-2-23-10-12-24(13-11-23)19-16-7-3-4-8-17(16)21-18(22-19)15-6-5-9-20-14-15/h3-9,14H,2,10-13H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42281
PNG
(MLS000031928 | N-[(4-Methoxy-benzylcarbamoyl)-meth...)
Show SMILES COc1ccc(CNC(=O)CN(CC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H31N3O6S/c1-18-5-11-22(12-6-18)34(30,31)26-15-24(29)27(16-21-4-3-13-33-21)17-23(28)25-14-19-7-9-20(32-2)10-8-19/h5-12,21,26H,3-4,13-17H2,1-2H3,(H,25,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42283
PNG
(2-(4-Benzylamino-4H-[1,2,4]triazol-3-ylsulfanyl)-N...)
Show SMILES CC(C)(C)NC(=O)CSc1nncn1NCc1ccccc1
Show InChI InChI=1S/C15H21N5OS/c1-15(2,3)18-13(21)10-22-14-19-16-11-20(14)17-9-12-7-5-4-6-8-12/h4-8,11,17H,9-10H2,1-3H3,(H,18,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42298
PNG
(2-(5'-bromo-2'-keto-spiro[1,3-dioxane-2,3'-indolin...)
Show SMILES COC(=O)CN1C(=O)C2(OCCCO2)c2cc(Br)ccc12
Show InChI InChI=1S/C14H14BrNO5/c1-19-12(17)8-16-11-4-3-9(15)7-10(11)14(13(16)18)20-5-2-6-21-14/h3-4,7H,2,5-6,8H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM36953
PNG
(3-(3,4-diethoxyphenyl)-5-(4-pyridyl)-1,2,4-oxadiaz...)
Show SMILES CCOc1ccc(cc1OCC)-c1noc(n1)-c1ccncc1
Show InChI InChI=1S/C17H17N3O3/c1-3-21-14-6-5-13(11-15(14)22-4-2)16-19-17(23-20-16)12-7-9-18-10-8-12/h5-11H,3-4H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42310
PNG
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-methyl-[2-(...)
Show SMILES CN(CC1COc2ccccc2O1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H20N4O2/c1-27(14-17-15-28-20-10-4-5-11-21(20)29-17)23-18-8-2-3-9-19(18)25-22(26-23)16-7-6-12-24-13-16/h2-13,17H,14-15H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42339
PNG
(3,4,11-trimethyl-6,7,8,9-tetrahydro-2H-[1]benzofur...)
Show SMILES Cc1c(C)c(=O)oc2c(C)c3oc4CCCCc4c3cc12
Show InChI InChI=1S/C18H18O3/c1-9-10(2)18(19)21-16-11(3)17-14(8-13(9)16)12-6-4-5-7-15(12)20-17/h8H,4-7H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42342
PNG
(1-acetyl-5-bromo-N-[2-(2-methyl-1-piperidinyl)ethy...)
Show SMILES CC1CCCCN1CCNS(=O)(=O)c1cc(Br)cc2CCN(C(C)=O)c12
Show InChI InChI=1S/C18H26BrN3O3S/c1-13-5-3-4-8-21(13)10-7-20-26(24,25)17-12-16(19)11-15-6-9-22(14(2)23)18(15)17/h11-13,20H,3-10H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42366
PNG
(3-(2-furanylmethyl)-4-oxo-N-[3-(2-oxo-1-pyrrolidin...)
Show SMILES O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O
Show InChI InChI=1S/C21H22N4O4S/c26-18-5-1-9-24(18)10-3-8-22-19(27)14-6-7-16-17(12-14)23-21(30)25(20(16)28)13-15-4-2-11-29-15/h2,4,6-7,11-12H,1,3,5,8-10,13H2,(H,22,27)(H,23,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42367
PNG
((2E)-2-(1-methyl-1,3-dihydro-2H-benzimidazol-2-yli...)
Show SMILES Cn1c(nc2ccccc12)C(C#N)C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C22H22N4O3S/c1-25-20-8-4-3-7-19(20)24-22(25)18(15-23)21(27)16-9-11-17(12-10-16)30(28,29)26-13-5-2-6-14-26/h3-4,7-12,18H,2,5-6,13-14H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42373
PNG
(MLS000091923 | N-[3-[butyl(ethyl)amino]propyl]-7-m...)
Show SMILES CCCCN(CC)CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2o1
Show InChI InChI=1S/C22H29N3O3/c1-4-6-11-25(5-2)12-7-10-23-21(26)20-14-17-13-16-8-9-18(27-3)15-19(16)24-22(17)28-20/h8-9,13-15H,4-7,10-12H2,1-3H3,(H,23,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42375
PNG
(1-(1,3-benzodioxol-5-yl)-1,3-diazinane-2,4,6-trion...)
Show SMILES Oc1cc(=O)[nH]c(=O)n1-c1ccc2OCOc2c1
Show InChI InChI=1S/C11H8N2O5/c14-9-4-10(15)13(11(16)12-9)6-1-2-7-8(3-6)18-5-17-7/h1-4,15H,5H2,(H,12,14,16)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42381
PNG
(3-benzyl-4-(2-furfuryl)-1H-1,2,4-triazole-5-thione...)
Show SMILES S=c1[nH]nc(Cc2ccccc2)n1Cc1ccco1
Show InChI InChI=1S/C14H13N3OS/c19-14-16-15-13(9-11-5-2-1-3-6-11)17(14)10-12-7-4-8-18-12/h1-8H,9-10H2,(H,16,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42390
PNG
(1-(3,5-dimethylphenyl)-5-keto-pyrrolidine-3-carbox...)
Show SMILES Cc1cc(C)cc(c1)N1CC(CC1=O)C(O)=O
Show InChI InChI=1S/C13H15NO3/c1-8-3-9(2)5-11(4-8)14-7-10(13(16)17)6-12(14)15/h3-5,10H,6-7H2,1-2H3,(H,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42393
PNG
(MLS000088702 | N-(4-acetylphenyl)-2-(2-hydroxyethy...)
Show SMILES CC(=O)c1ccc(NC(=O)CSCCO)cc1
Show InChI InChI=1S/C12H15NO3S/c1-9(15)10-2-4-11(5-3-10)13-12(16)8-17-7-6-14/h2-5,14H,6-8H2,1H3,(H,13,16)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42272
PNG
(2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetic...)
Show SMILES CCOC(=O)COc1ccc(cc1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C18H16N2O4/c1-2-22-16(21)12-23-15-10-8-14(9-11-15)18-20-19-17(24-18)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42291
PNG
(1-(5-chloranylpyridin-2-yl)-3-(phenylmethyl)pyrrol...)
Show SMILES Oc1cc(Cc2ccccc2)c(O)n1-c1ccc(Cl)cn1
Show InChI InChI=1S/C16H13ClN2O2/c17-13-6-7-14(18-10-13)19-15(20)9-12(16(19)21)8-11-4-2-1-3-5-11/h1-7,9-10,20-21H,8H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42294
PNG
(1-(2-fluorophenyl)-3-(4-hydroxybenzyl)-4,6-diketo-...)
Show SMILES CCOC(=O)C1(Cc2ccc(O)cc2)NC(C2C1C(=O)N(C)C2=O)c1ccccc1F
Show InChI InChI=1S/C23H23FN2O5/c1-3-31-22(30)23(12-13-8-10-14(27)11-9-13)18-17(20(28)26(2)21(18)29)19(25-23)15-6-4-5-7-16(15)24/h4-11,17-19,25,27H,3,12H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM41312
PNG
(2-(3-butoxyquinoxalin-2-yl)-2-(phenylsulfonyl)etha...)
Show SMILES CCCCOc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H19N3O3S/c1-2-3-13-26-20-19(22-16-11-7-8-12-17(16)23-20)18(14-21)27(24,25)15-9-5-4-6-10-15/h4-12,18H,2-3,13H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42311
PNG
(MLS000044160 | N-cyclohexyl-2-(4-methylphenyl)-2-(...)
Show SMILES Cc1ccc(cc1)C(N1CCCC1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C19H28N2O/c1-15-9-11-16(12-10-15)18(21-13-5-6-14-21)19(22)20-17-7-3-2-4-8-17/h9-12,17-18H,2-8,13-14H2,1H3,(H,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42313
PNG
(4-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-[(4-me...)
Show SMILES COc1ccc(CNC(=O)CCCNS(=O)(=O)c2cccc3nonc23)cc1
Show InChI InChI=1S/C18H20N4O5S/c1-26-14-9-7-13(8-10-14)12-19-17(23)6-3-11-20-28(24,25)16-5-2-4-15-18(16)22-27-21-15/h2,4-5,7-10,20H,3,6,11-12H2,1H3,(H,19,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42322
PNG
(1-(2-methylphenyl)-3-thiophen-2-yl-urea | 1-(2-met...)
Show SMILES Cc1ccccc1NC(=O)Nc1cccs1
Show InChI InChI=1S/C12H12N2OS/c1-9-5-2-3-6-10(9)13-12(15)14-11-7-4-8-16-11/h2-8H,1H3,(H2,13,14,15)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42324
PNG
(1-keto-3-phenyl-phthalan-5-carboxylic acid | 1-oxi...)
Show SMILES OC(=O)c1ccc2C(=O)OC(c2c1)c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-14(17)10-6-7-11-12(8-10)13(19-15(11)18)9-4-2-1-3-5-9/h1-8,13H,(H,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42328
PNG
(MLS000090570 | N-(4-methyl-1,3-benzothiazol-2-yl)-...)
Show SMILES CN(CC(=O)Nc1nc2c(C)cccc2s1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C15H15N3O3S3/c1-10-5-3-6-11-14(10)17-15(23-11)16-12(19)9-18(2)24(20,21)13-7-4-8-22-13/h3-8H,9H2,1-2H3,(H,16,17,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42332
PNG
(1-[4-(tetrahydrofuran-2-carbonylamino)benzoyl]ison...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1ccc(NC(=O)C2CCCO2)cc1
Show InChI InChI=1S/C20H26N2O5/c1-2-26-20(25)15-9-11-22(12-10-15)19(24)14-5-7-16(8-6-14)21-18(23)17-4-3-13-27-17/h5-8,15,17H,2-4,9-13H2,1H3,(H,21,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42334
PNG
(MLS000047486 | N-(3,4-dimethoxyphenyl)-2-(4-p-cume...)
Show SMILES COc1ccc(NC(=O)CN2CCN(CC2)S(=O)(=O)c2ccc(cc2)C(C)C)cc1OC
Show InChI InChI=1S/C23H31N3O5S/c1-17(2)18-5-8-20(9-6-18)32(28,29)26-13-11-25(12-14-26)16-23(27)24-19-7-10-21(30-3)22(15-19)31-4/h5-10,15,17H,11-14,16H2,1-4H3,(H,24,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42336
PNG
(6-(5-bromanylthiophen-2-yl)-3-pyridin-3-yl-7H-[1,2...)
Show SMILES Brc1ccc(s1)C1=Nn2c(SC1)nnc2-c1cccnc1
Show InChI InChI=1S/C13H8BrN5S2/c14-11-4-3-10(21-11)9-7-20-13-17-16-12(19(13)18-9)8-2-1-5-15-6-8/h1-6H,7H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42338
PNG
(2-[5-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadi...)
Show SMILES Nc1nonc1-c1noc(CCCCCN2C(=O)c3ccccc3C2=O)n1
Show InChI InChI=1S/C17H16N6O4/c18-14-13(20-27-21-14)15-19-12(26-22-15)8-2-1-5-9-23-16(24)10-6-3-4-7-11(10)17(23)25/h3-4,6-7H,1-2,5,8-9H2,(H2,18,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42348
PNG
(1-[3-(2,1,3-benzoxadiazol-4-ylsulfonyl)propanoyl]-...)
Show SMILES O=C(CCS(=O)(=O)c1cccc2nonc12)N1CCCc2ccccc12
Show InChI InChI=1S/C18H17N3O4S/c22-17(21-11-4-6-13-5-1-2-8-15(13)21)10-12-26(23,24)16-9-3-7-14-18(16)20-25-19-14/h1-3,5,7-9H,4,6,10-12H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM35402
PNG
(MLS000093276 | N-[2-(4-morpholinyl)-5-(trifluorome...)
Show SMILES FC(F)(F)c1ccc(N2CCOCC2)c(Nc2nc3ccccc3n3cnnc23)c1
Show InChI InChI=1S/C20H17F3N6O/c21-20(22,23)13-5-6-16(28-7-9-30-10-8-28)15(11-13)26-18-19-27-24-12-29(19)17-4-2-1-3-14(17)25-18/h1-6,11-12H,7-10H2,(H,25,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42364
PNG
(MLS000087724 | N-(2-keto-8-methoxy-chromen-3-yl)cy...)
Show SMILES COc1cccc2cc(NC(=O)C3CCCCC3)c(=O)oc12
Show InChI InChI=1S/C17H19NO4/c1-21-14-9-5-8-12-10-13(17(20)22-15(12)14)18-16(19)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42378
PNG
(2-(cyclohexylamino)-4-(methoxymethyl)-6-methyl-3-p...)
Show SMILES COCc1cc(C)nc(NC2CCCCC2)c1C#N
Show InChI InChI=1S/C15H21N3O/c1-11-8-12(10-19-2)14(9-16)15(17-11)18-13-6-4-3-5-7-13/h8,13H,3-7,10H2,1-2H3,(H,17,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM39489
PNG
(1-(3-chlorophenyl)-3-[4-(cyanomethyl)phenyl]urea |...)
Show SMILES Clc1cccc(NC(=O)Nc2ccc(CC#N)cc2)c1
Show InChI InChI=1S/C15H12ClN3O/c16-12-2-1-3-14(10-12)19-15(20)18-13-6-4-11(5-7-13)8-9-17/h1-7,10H,8H2,(H2,18,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM40567
PNG
(MLS000076175 | N-(2-furanylmethyl)-4-(2-oxolanylme...)
Show SMILES O=C(NCc1ccco1)c1ccc(cc1)S(=O)(=O)NCC1CCCO1
Show InChI InChI=1S/C17H20N2O5S/c20-17(18-11-14-3-1-9-23-14)13-5-7-16(8-6-13)25(21,22)19-12-15-4-2-10-24-15/h1,3,5-9,15,19H,2,4,10-12H2,(H,18,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42282
PNG
(1-[(1-tert-Butyl-1H-tetrazol-5-yl)-(3,4-dimethoxy-...)
Show SMILES CCN1CCN(CC1)C(c1nnnn1C(C)(C)C)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H32N6O2/c1-7-24-10-12-25(13-11-24)18(19-21-22-23-26(19)20(2,3)4)15-8-9-16(27-5)17(14-15)28-6/h8-9,14,18H,7,10-13H2,1-6H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42292
PNG
(MLS000031848 | N-tert-Butyl-2-(5-furan-2-yl-4-fura...)
Show SMILES CC(C)(C)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1
Show InChI InChI=1S/C17H20N4O3S/c1-17(2,3)18-14(22)11-25-16-20-19-15(13-7-5-9-24-13)21(16)10-12-6-4-8-23-12/h4-9H,10-11H2,1-3H3,(H,18,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42301
PNG
(2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thi...)
Show SMILES CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1N
Show InChI InChI=1S/C12H15N5O2S/c1-8(2)19-10(18)7-20-12-16-15-11(17(12)13)9-4-3-5-14-6-9/h3-6,8H,7,13H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42314
PNG
(1-(4-benzylpiperazin-1-yl)-3-(4-bromophenyl)sulfon...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)CCC(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H23BrN2O3S/c21-18-6-8-19(9-7-18)27(25,26)15-10-20(24)23-13-11-22(12-14-23)16-17-4-2-1-3-5-17/h1-9H,10-16H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42317
PNG
(6-[[2-keto-2-(2-methylpiperidino)ethyl]thio]-7-pip...)
Show SMILES CC1CCCCN1C(=O)CSc1nc2cc3OCOc3cc2c(=O)n1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C25H25N3O6S/c1-15-4-2-3-7-27(15)23(29)12-35-25-26-18-10-22-21(33-14-34-22)9-17(18)24(30)28(25)11-16-5-6-19-20(8-16)32-13-31-19/h5-6,8-10,15H,2-4,7,11-14H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42323
PNG
(1-(10H-phenothiazin-2-yl)ethanone | MLS000047624 |...)
Show SMILES CC(=O)c1ccc2Sc3ccccc3Nc2c1
Show InChI InChI=1S/C14H11NOS/c1-9(16)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)17-14/h2-8,15H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42335
PNG
(3-acetyl-2-(3-methylphenyl)-1,3-thiazolidine-4-car...)
Show SMILES CC(=O)N1C(CSC1c1cccc(C)c1)C(O)=O
Show InChI InChI=1S/C13H15NO3S/c1-8-4-3-5-10(6-8)12-14(9(2)15)11(7-18-12)13(16)17/h3-6,11-12H,7H2,1-2H3,(H,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42346
PNG
(2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino...)
Show SMILES CN(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cccc2nsnc12
Show InChI InChI=1S/C15H12F2N4O3S2/c1-21(8-14(22)18-9-5-6-10(16)11(17)7-9)26(23,24)13-4-2-3-12-15(13)20-25-19-12/h2-7H,8H2,1H3,(H,18,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42352
PNG
(MLS000046419 | N-(2-furanylmethyl)-5-[(2-methylphe...)
Show SMILES Cc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCc1ccco1
Show InChI InChI=1S/C19H19NO5S/c1-14-5-2-3-6-15(14)12-26(22,23)13-17-8-9-18(25-17)19(21)20-11-16-7-4-10-24-16/h2-10H,11-13H2,1H3,(H,20,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42353
PNG
(3-methyl-7-propan-2-yl-8-sulfanylidene-9H-purine-2...)
Show SMILES CC(C)n1c2c([nH]c1=S)n(C)c(=O)[nH]c2=O
Show InChI InChI=1S/C9H12N4O2S/c1-4(2)13-5-6(10-9(13)16)12(3)8(15)11-7(5)14/h4H,1-3H3,(H,10,16)(H,11,14,15)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42355
PNG
(3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-b...)
Show SMILES O=C(CCNS(=O)(=O)c1cccc2nsnc12)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H25N5O3S2/c27-20(23-17-10-13-26(14-11-17)15-16-5-2-1-3-6-16)9-12-22-31(28,29)19-8-4-7-18-21(19)25-30-24-18/h1-8,17,22H,9-15H2,(H,23,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42360
PNG
(MLS000094491 | N-[3-(1H-imidazol-1-yl)propyl]-1,9-...)
Show SMILES Cc1cccn2c1nc1n(C)c(cc1c2=O)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C19H20N6O2/c1-13-5-3-9-25-16(13)22-17-14(19(25)27)11-15(23(17)2)18(26)21-6-4-8-24-10-7-20-12-24/h3,5,7,9-12H,4,6,8H2,1-2H3,(H,21,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42368
PNG
(2-(1-keto-3-methyl-2-isoquinolyl)-N-[2-keto-2-(4-p...)
Show SMILES Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H26N4O3/c1-18-15-19-7-5-6-10-21(19)24(31)28(18)17-22(29)25-16-23(30)27-13-11-26(12-14-27)20-8-3-2-4-9-20/h2-10,15H,11-14,16-17H2,1H3,(H,25,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42379
PNG
(2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-o...)
Show SMILES Cc1cc(NC(=O)CSc2nc3ccccc3[nH]2)no1
Show InChI InChI=1S/C13H12N4O2S/c1-8-6-11(17-19-8)16-12(18)7-20-13-14-9-4-2-3-5-10(9)15-13/h2-6H,7H2,1H3,(H,14,15)(H,16,17,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42387
PNG
(7-hydroxy-4-keto-8-methyl-3-(4-phenyl-1,2,4-triazo...)
Show SMILES CCOC(=O)c1oc2c(C)c(O)ccc2c(=O)c1-c1nncn1-c1ccccc1
Show InChI InChI=1S/C21H17N3O5/c1-3-28-21(27)19-16(17(26)14-9-10-15(25)12(2)18(14)29-19)20-23-22-11-24(20)13-7-5-4-6-8-13/h4-11,25H,3H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42389
PNG
(6'-amino-1'-(3-chlorophenyl)-5'-cyano-3'-methyl-1-...)
Show SMILES CCOC(=O)N1CCC2(CC1)C(C#N)C(=N)Oc1c2c(C)nn1-c1cccc(Cl)c1
Show InChI InChI=1S/C21H22ClN5O3/c1-3-29-20(28)26-9-7-21(8-10-26)16(12-23)18(24)30-19-17(21)13(2)25-27(19)15-6-4-5-14(22)11-15/h4-6,11,16,24H,3,7-10H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42392
PNG
(1-(2-thenoyl)indole-3-carboxylic acid methyl ester...)
Show SMILES COC(=O)c1cn(C(=O)c2cccs2)c2ccccc12
Show InChI InChI=1S/C15H11NO3S/c1-19-15(18)11-9-16(12-6-3-2-5-10(11)12)14(17)13-7-4-8-20-13/h2-9H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42404
PNG
(1-(3,4-dimethoxybenzoyl)-N-(3-methylphenyl)piperid...)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCC(CC1)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C22H26N2O4/c1-15-5-4-6-18(13-15)23-21(25)16-9-11-24(12-10-16)22(26)17-7-8-19(27-2)20(14-17)28-3/h4-8,13-14,16H,9-12H2,1-3H3,(H,23,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42276
PNG
(1-[(1-isoamyltetrazol-5-yl)-phenyl-methyl]isonipec...)
Show SMILES CC(C)CCn1nnnc1C(N1CCC(CC1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C19H28N6O/c1-14(2)8-13-25-19(21-22-23-25)17(15-6-4-3-5-7-15)24-11-9-16(10-12-24)18(20)26/h3-7,14,16-17H,8-13H2,1-2H3,(H2,20,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42277
PNG
(MLS000072166 | N-[2-[[2-(cyclopentylamino)-1-(2-fu...)
Show SMILES O=C(CNC(=O)c1cccs1)N(C(C(=O)NC1CCCC1)c1ccco1)c1cccnc1
Show InChI InChI=1S/C23H24N4O4S/c28-20(15-25-22(29)19-10-5-13-32-19)27(17-8-3-11-24-14-17)21(18-9-4-12-31-18)23(30)26-16-6-1-2-7-16/h3-5,8-14,16,21H,1-2,6-7,15H2,(H,25,29)(H,26,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42278
PNG
(2-N-(3-acetamidophenyl)-1-N-(4-methylphenyl)pyrrol...)
Show SMILES CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccc(C)cc2)c1
Show InChI InChI=1S/C21H24N4O3/c1-14-8-10-16(11-9-14)24-21(28)25-12-4-7-19(25)20(27)23-18-6-3-5-17(13-18)22-15(2)26/h3,5-6,8-11,13,19H,4,7,12H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM37614
PNG
((4E)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-1-...)
Show SMILES Cc1ccc(C)c(c1)C(=O)C1C(N(CCCn2ccnc2)C(=O)C1=O)c1ccncc1
Show InChI InChI=1S/C24H24N4O3/c1-16-4-5-17(2)19(14-16)22(29)20-21(18-6-8-25-9-7-18)28(24(31)23(20)30)12-3-11-27-13-10-26-15-27/h4-10,13-15,20-21H,3,11-12H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42280
PNG
(2-(3-Chloro-7,8,9,10-tetrahydro-phenanthridin-6-yl...)
Show SMILES Cc1nonc1NC(=O)CSc1nc2cc(Cl)ccc2c2CCCCc12
Show InChI InChI=1S/C18H17ClN4O2S/c1-10-17(23-25-22-10)21-16(24)9-26-18-14-5-3-2-4-12(14)13-7-6-11(19)8-15(13)20-18/h6-8H,2-5,9H2,1H3,(H,21,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42286
PNG
(5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-me...)
Show SMILES COc1ccc(OC)c(Nc2nc(cs2)-c2sc(N)nc2C)c1
Show InChI InChI=1S/C15H16N4O2S2/c1-8-13(23-14(16)17-8)11-7-22-15(19-11)18-10-6-9(20-2)4-5-12(10)21-3/h4-7H,1-3H3,(H2,16,17)(H,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42299
PNG
((5Z)-4-allyl-5-indol-3-ylidene-1,2,4-triazolidine-...)
Show SMILES C=CCn1c(n[nH]c1=S)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H12N4S/c1-2-7-17-12(15-16-13(17)18)10-8-14-11-6-4-3-5-9(10)11/h2-6,8,14H,1,7H2,(H,16,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42326
PNG
(2-(diethylamino)-7-methoxy-3-quinolinecarbonitrile...)
Show SMILES CCN(CC)c1nc2cc(OC)ccc2cc1C#N
Show InChI InChI=1S/C15H17N3O/c1-4-18(5-2)15-12(10-16)8-11-6-7-13(19-3)9-14(11)17-15/h6-9H,4-5H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42337
PNG
(2-[(2,5-dimethylanilino)-oxomethyl]-4-hydroxy-1-py...)
Show SMILES Cc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)OC(C)(C)C)c1
Show InChI InChI=1S/C18H26N2O4/c1-11-6-7-12(2)14(8-11)19-16(22)15-9-13(21)10-20(15)17(23)24-18(3,4)5/h6-8,13,15,21H,9-10H2,1-5H3,(H,19,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42354
PNG
(MLS000044440 | N-(2,5-dimethylphenyl)-N-methyl-2,1...)
Show SMILES CN(c1cc(C)ccc1C)S(=O)(=O)c1cccc2nsnc12
Show InChI InChI=1S/C15H15N3O2S2/c1-10-7-8-11(2)13(9-10)18(3)22(19,20)14-6-4-5-12-15(14)17-21-16-12/h4-9H,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42358
PNG
(4-methyl-N-[2-methyl-1-(3-morpholinopropylcarbamoy...)
Show SMILES CC(C)C(NC(=O)C1CCC(C)CC1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C20H37N3O3/c1-15(2)18(22-19(24)17-7-5-16(3)6-8-17)20(25)21-9-4-10-23-11-13-26-14-12-23/h15-18H,4-14H2,1-3H3,(H,21,25)(H,22,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42362
PNG
(MLS000094696 | N-butyl-5-(6,7-diethoxy-2,4-diketo-...)
Show SMILES CCCCN(C)C(=O)CCCCn1c(=O)[nH]c2cc(OCC)c(OCC)cc2c1=O
Show InChI InChI=1S/C22H33N3O5/c1-5-8-12-24(4)20(26)11-9-10-13-25-21(27)16-14-18(29-6-2)19(30-7-3)15-17(16)23-22(25)28/h14-15H,5-13H2,1-4H3,(H,23,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42371
PNG
(7-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-1,...)
Show SMILES CCOc1ccccc1C1C(C(=O)Nc2ccccc2OC)C(C)=Nc2nnnn12
Show InChI InChI=1S/C21H22N6O3/c1-4-30-16-11-7-5-9-14(16)19-18(13(2)22-21-24-25-26-27(19)21)20(28)23-15-10-6-8-12-17(15)29-3/h5-12,18-19H,4H2,1-3H3,(H,23,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42374
PNG
(2-(3-keto-1,4-benzothiazin-4-yl)acetic acid ethyl ...)
Show SMILES CCOC(=O)CN1C(=O)CSc2ccccc12
Show InChI InChI=1S/C12H13NO3S/c1-2-16-12(15)7-13-9-5-3-4-6-10(9)17-8-11(13)14/h3-6H,2,7-8H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42380
PNG
(4,6-dimethyl-7,8,9,10-tetrahydro-2H-pyrano[2,3-f]q...)
Show SMILES Cc1cc2c(C)cc(=O)oc2c2CCCNc12
Show InChI InChI=1S/C14H15NO2/c1-8-7-12(16)17-14-10-4-3-5-15-13(10)9(2)6-11(8)14/h6-7,15H,3-5H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42385
PNG
(1-({[5-(5-chloro-1-benzofuran-2-yl)-4-ethyl-4H-1,2...)
Show SMILES CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1-c1cc2cc(Cl)ccc2o1
Show InChI InChI=1S/C24H24ClN5O2S/c1-2-30-23(21-15-17-14-18(25)8-9-20(17)32-21)26-27-24(30)33-16-22(31)29-12-10-28(11-13-29)19-6-4-3-5-7-19/h3-9,14-15H,2,10-13,16H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42391
PNG
(4-chloranyl-N-[2-[5-[2-(cyclopentylamino)-2-oxidan...)
Show SMILES CCn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCC1
Show InChI InChI=1S/C20H26ClN5O2S/c1-2-26-17(11-12-22-19(28)14-7-9-15(21)10-8-14)24-25-20(26)29-13-18(27)23-16-5-3-4-6-16/h7-10,16H,2-6,11-13H2,1H3,(H,22,28)(H,23,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42396
PNG
(MLS000050546 | N-[4-(diethylsulfamoyl)phenyl]-2-(3...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C19H24FN3O5S2/c1-4-22(5-2)30(27,28)18-11-9-16(10-12-18)21-19(24)14-23(29(3,25)26)17-8-6-7-15(20)13-17/h6-13H,4-5,14H2,1-3H3,(H,21,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42268
PNG
(2-[4-(2-Ethoxy-phenyl)-5-(4-hydroxy-phenyl)-4H-[1,...)
Show SMILES CCOc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccc(O)cc1
Show InChI InChI=1S/C18H18N4O3S/c1-2-25-15-6-4-3-5-14(15)22-17(12-7-9-13(23)10-8-12)20-21-18(22)26-11-16(19)24/h3-10,23H,2,11H2,1H3,(H2,19,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42270
PNG
(8-(2-Piperidin-1-yl-propane-1-sulfonyl)-quinoline ...)
Show SMILES CC(CS(=O)(=O)c1cccc2cccnc12)N1CCCCC1
Show InChI InChI=1S/C17H22N2O2S/c1-14(19-11-3-2-4-12-19)13-22(20,21)16-9-5-7-15-8-6-10-18-17(15)16/h5-10,14H,2-4,11-13H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42275
PNG
(2-(3-Cyclopropanecarbonyl-indol-1-yl)-N-(3-methoxy...)
Show SMILES COCCCNC(=O)Cn1cc(C(=O)C2CC2)c2ccccc12
Show InChI InChI=1S/C18H22N2O3/c1-23-10-4-9-19-17(21)12-20-11-15(18(22)13-7-8-13)14-5-2-3-6-16(14)20/h2-3,5-6,11,13H,4,7-10,12H2,1H3,(H,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42284
PNG
(2-benzofurancarboxylic acid 2-(1-piperidinyl)ethyl...)
Show SMILES O=C(OCCN1CCCCC1)c1cc2ccccc2o1
Show InChI InChI=1S/C16H19NO3/c18-16(19-11-10-17-8-4-1-5-9-17)15-12-13-6-2-3-7-14(13)20-15/h2-3,6-7,12H,1,4-5,8-11H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42296
PNG
(2-N-butyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dic...)
Show SMILES CCCCNC(=O)C1CCCN1C(=O)Nc1cccc(OC)c1
Show InChI InChI=1S/C17H25N3O3/c1-3-4-10-18-16(21)15-9-6-11-20(15)17(22)19-13-7-5-8-14(12-13)23-2/h5,7-8,12,15H,3-4,6,9-11H2,1-2H3,(H,18,21)(H,19,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42305
PNG
(MLS000041040 | SMR000045696 | cid_664650)
Show SMILES CCC(C)n1cnc2n(Cc3ccc4OCOc4c3)c3nc4ccccc4nc3c2c1=O
Show InChI InChI=1S/C24H21N5O3/c1-3-14(2)29-12-25-22-20(24(29)30)21-23(27-17-7-5-4-6-16(17)26-21)28(22)11-15-8-9-18-19(10-15)32-13-31-18/h4-10,12,14H,3,11,13H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42307
PNG
(2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sul...)
Show SMILES C(Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1nc2ccccc2s1
Show InChI InChI=1S/C21H16N4OS2/c1-2-7-15(8-3-1)13-25-20(17-10-6-12-26-17)23-24-21(25)27-14-19-22-16-9-4-5-11-18(16)28-19/h1-12H,13-14H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42319
PNG
(MLS000044596 | N-[3-[4-(3-chlorophenyl)-1-piperazi...)
Show SMILES COc1cc2c(cn(C)c(=O)c2cc1OC)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C26H31ClN4O4/c1-29-17-22(20-15-23(34-2)24(35-3)16-21(20)26(29)33)25(32)28-8-5-9-30-10-12-31(13-11-30)19-7-4-6-18(27)14-19/h4,6-7,14-17H,5,8-13H2,1-3H3,(H,28,32)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42331
PNG
(6-bromanyl-N-[3-(dimethylamino)propyl]-3-(3,4-dime...)
Show SMILES CN(C)CCCNC(=O)C1(O)N(C(=O)Nc2ccc(Br)cc12)c1ccc(C)c(C)c1
Show InChI InChI=1S/C22H27BrN4O3/c1-14-6-8-17(12-15(14)2)27-21(29)25-19-9-7-16(23)13-18(19)22(27,30)20(28)24-10-5-11-26(3)4/h6-9,12-13,30H,5,10-11H2,1-4H3,(H,24,28)(H,25,29)
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM30856
PNG
(1-(4-methylphenyl)-2,5-bis(oxidanylidene)dipyrido[...)
Show SMILES Cc1ccc(cc1)-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O
Show InChI InChI=1S/C19H12N4O2/c1-12-5-7-14(8-6-12)23-17-15(10-13(11-20)18(23)24)19(25)22-9-3-2-4-16(22)21-17/h2-10H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42343
PNG
(5-(3-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-...)
Show SMILES CCN(CC)CCCNC(=O)c1cc(on1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H22ClN3O2/c1-3-21(4-2)10-6-9-19-17(22)15-12-16(23-20-15)13-7-5-8-14(18)11-13/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,19,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42363
PNG
(4-(3-benzyl-4-keto-2-thioxo-1H-quinazoline-7-carbo...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1)c2=O
Show InChI InChI=1S/C23H24N4O4S/c1-2-31-23(30)26-12-10-25(11-13-26)20(28)17-8-9-18-19(14-17)24-22(32)27(21(18)29)15-16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3,(H,24,32)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42377
PNG
(4-(2,5-dimethylphenoxy)-N-prop-2-enyl-butanamide |...)
Show SMILES Cc1ccc(C)c(OCCCC(=O)NCC=C)c1
Show InChI InChI=1S/C15H21NO2/c1-4-9-16-15(17)6-5-10-18-14-11-12(2)7-8-13(14)3/h4,7-8,11H,1,5-6,9-10H2,2-3H3,(H,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42383
PNG
(4-methyl-2-(4,5,6,7-tetrahydrobenzothiophene-3-car...)
Show SMILES COC(=O)c1sc(NC(=O)c2csc3CCCCc23)nc1C
Show InChI InChI=1S/C15H16N2O3S2/c1-8-12(14(19)20-2)22-15(16-8)17-13(18)10-7-21-11-6-4-3-5-9(10)11/h7H,3-6H2,1-2H3,(H,16,17,18)
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42384
PNG
(2-(2-phenylethylsulfanyl)pyridine-3-carboxylic aci...)
Show SMILES OC(=O)c1cccnc1SCCc1ccccc1
Show InChI InChI=1S/C14H13NO2S/c16-14(17)12-7-4-9-15-13(12)18-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42386
PNG
(1-(4-methoxyphenyl)-2-[(5-p-anisyl-1,3,4-oxadiazol...)
Show SMILES COc1ccc(Cc2nnc(SCC(=O)c3ccc(OC)cc3)o2)cc1
Show InChI InChI=1S/C19H18N2O4S/c1-23-15-7-3-13(4-8-15)11-18-20-21-19(25-18)26-12-17(22)14-5-9-16(24-2)10-6-14/h3-10H,11-12H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42401
PNG
(3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4-{[...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)no1
Show InChI InChI=1S/C21H18N4O6S/c1-13-12-18(23-31-13)24-32(29,30)15-8-6-14(7-9-15)22-19(26)10-11-25-20(27)16-4-2-3-5-17(16)21(25)28/h2-9,12H,10-11H2,1H3,(H,22,26)(H,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42265
PNG
(3-Isopropoxy-N-(2-morpholin-4-yl-phenyl)-benzamide...)
Show SMILES CC(C)Oc1cccc(c1)C(=O)Nc1ccccc1N1CCOCC1
Show InChI InChI=1S/C20H24N2O3/c1-15(2)25-17-7-5-6-16(14-17)20(23)21-18-8-3-4-9-19(18)22-10-12-24-13-11-22/h3-9,14-15H,10-13H2,1-2H3,(H,21,23)
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42266
PNG
(1-(1-benzimidazolyl)-3-(1-cyclohex-3-enylmethoxy)-...)
Show SMILES OC(COCC1CCC=CC1)Cn1cnc2ccccc12
Show InChI InChI=1S/C17H22N2O2/c20-15(12-21-11-14-6-2-1-3-7-14)10-19-13-18-16-8-4-5-9-17(16)19/h1-2,4-5,8-9,13-15,20H,3,6-7,10-12H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42269
PNG
((8-Fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfa...)
Show SMILES Fc1ccc2[nH]c3nc(SCC(=O)OCc4ccccc4)nnc3c2c1
Show InChI InChI=1S/C18H13FN4O2S/c19-12-6-7-14-13(8-12)16-17(20-14)21-18(23-22-16)26-10-15(24)25-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,20,21,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42273
PNG
(4,5-Dichloro-isothiazole-3-carboxylic acid 1-[(thi...)
Show SMILES CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1cccs1
Show InChI InChI=1S/C12H10Cl2N2O3S2/c1-6(11(17)15-5-7-3-2-4-20-7)19-12(18)9-8(13)10(14)21-16-9/h2-4,6H,5H2,1H3,(H,15,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42274
PNG
(2-(4-Methoxy-benzenesulfonylamino)-N-{[(tetrahydro...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCC(=O)N(CC(=O)NCC1CCCO1)c1ccccc1C
Show InChI InChI=1S/C23H29N3O6S/c1-17-6-3-4-8-21(17)26(16-22(27)24-14-19-7-5-13-32-19)23(28)15-25-33(29,30)20-11-9-18(31-2)10-12-20/h3-4,6,8-12,19,25H,5,7,13-16H2,1-2H3,(H,24,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42288
PNG
(2-(5-methyl-1,2-oxazol-3-yl)-5-(pyridin-3-ylmethyl...)
Show SMILES Cc1cc(no1)-c1nnc(SCc2cccnc2)o1
Show InChI InChI=1S/C12H10N4O2S/c1-8-5-10(16-18-8)11-14-15-12(17-11)19-7-9-3-2-4-13-6-9/h2-6H,7H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42289
PNG
(1-(4-Methoxy-benzyl)-3,3-dimethyl-1-(8-methyl-2-ox...)
Show SMILES COc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)N(C)C)cc1
Show InChI InChI=1S/C22H25N3O3/c1-15-6-5-7-17-12-18(21(26)23-20(15)17)14-25(22(27)24(2)3)13-16-8-10-19(28-4)11-9-16/h5-12H,13-14H2,1-4H3,(H,23,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42295
PNG
(MLS000034000 | SMR000013789 | [4-(3,5-Dimethyl-phe...)
Show SMILES Cc1cc(C)cc(c1)N1CCN(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H25N3O2/c1-14-11-15(2)13-16(12-14)18-3-5-19(6-4-18)17(21)20-7-9-22-10-8-20/h11-13H,3-10H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM30762
PNG
(2-amino-N-butan-2-yl-1-(2-oxolanylmethyl)-3-pyrrol...)
Show SMILES CCC(C)NC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H25N5O2/c1-3-12(2)22-20(26)16-17-19(24-15-9-5-4-8-14(15)23-17)25(18(16)21)11-13-7-6-10-27-13/h4-5,8-9,12-13H,3,6-7,10-11,21H2,1-2H3,(H,22,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM30765
PNG
(2-amino-1-(2-methylpropyl)-N-(thiophen-2-ylmethyl)...)
Show SMILES CC(C)Cn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H21N5OS/c1-12(2)11-25-18(21)16(20(26)22-10-13-6-5-9-27-13)17-19(25)24-15-8-4-3-7-14(15)23-17/h3-9,12H,10-11,21H2,1-2H3,(H,22,26)
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n/an/an/an/a 2.49E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42302
PNG
(MLS000041013 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES Cc1nc(SCC(=O)Nc2ccc3OCCOc3c2)c2oc3ccccc3c2n1
Show InChI InChI=1S/C21H17N3O4S/c1-12-22-19-14-4-2-3-5-15(14)28-20(19)21(23-12)29-11-18(25)24-13-6-7-16-17(10-13)27-9-8-26-16/h2-7,10H,8-9,11H2,1H3,(H,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42304
PNG
(2-(4-methoxyphenyl)sulfonyl-2-(3-piperidin-1-ylqui...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1
Show InChI InChI=1S/C22H22N4O3S/c1-29-16-9-11-17(12-10-16)30(27,28)20(15-23)21-22(26-13-5-2-6-14-26)25-19-8-4-3-7-18(19)24-21/h3-4,7-12,20H,2,5-6,13-14H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42309
PNG
(4-(2,5-dimethyl-1-pyrrolyl)-N-(2-oxolanylmethyl)be...)
Show SMILES Cc1ccc(C)n1-c1ccc(cc1)C(=O)NCC1CCCO1
Show InChI InChI=1S/C18H22N2O2/c1-13-5-6-14(2)20(13)16-9-7-15(8-10-16)18(21)19-12-17-4-3-11-22-17/h5-10,17H,3-4,11-12H2,1-2H3,(H,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42312
PNG
(2-(2-oxidanylidene-1,3-oxazolidin-3-yl)ethyl N-(4-...)
Show SMILES Cc1nonc1NC(=O)OCCN1CCOC1=O
Show InChI InChI=1S/C9H12N4O5/c1-6-7(12-18-11-6)10-8(14)16-4-2-13-3-5-17-9(13)15/h2-5H2,1H3,(H,10,12,14)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42316
PNG
(1-oxo-2-[[oxo(pyridin-4-yl)methyl]amino]-4-isoquin...)
Show SMILES COC(=O)c1cn(NC(=O)c2ccncc2)c(=O)c2ccccc12
Show InChI InChI=1S/C17H13N3O4/c1-24-17(23)14-10-20(16(22)13-5-3-2-4-12(13)14)19-15(21)11-6-8-18-9-7-11/h2-10H,1H3,(H,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42318
PNG
(MLS000091920 | N-[3-(4-ethyl-1-piperazinyl)propyl]...)
Show SMILES CCN1CCN(CCCNC(=O)c2cc3cc4ccc(OC)cc4nc3o2)CC1
Show InChI InChI=1S/C22H28N4O3/c1-3-25-9-11-26(12-10-25)8-4-7-23-21(27)20-14-17-13-16-5-6-18(28-2)15-19(16)24-22(17)29-20/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,23,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42320
PNG
(MLS000090517 | N-(2-ethoxybenzyl)-2-keto-3H-1,3-be...)
Show SMILES CCOc1ccccc1CNS(=O)(=O)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C16H16N2O4S2/c1-2-22-14-6-4-3-5-11(14)10-17-24(20,21)12-7-8-13-15(9-12)23-16(19)18-13/h3-9,17H,2,10H2,1H3,(H,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42327
PNG
(4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(methoxymethy...)
Show SMILES COCc1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C2CCCCC2)o1
Show InChI InChI=1S/C18H24N4O5S/c1-22(14-6-4-3-5-7-14)28(24,25)15-10-8-13(9-11-15)17(23)19-18-21-20-16(27-18)12-26-2/h8-11,14H,3-7,12H2,1-2H3,(H,19,21,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42333
PNG
(3-(carbethoxyamino)-3-p-phenetyl-propionic acid | ...)
Show SMILES CCOC(=O)NC(CC(O)=O)c1ccc(OCC)cc1
Show InChI InChI=1S/C14H19NO5/c1-3-19-11-7-5-10(6-8-11)12(9-13(16)17)15-14(18)20-4-2/h5-8,12H,3-4,9H2,1-2H3,(H,15,18)(H,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42340
PNG
(1-acetyl-5-({3-[4-(2-furoyl)piperazin-1-yl]-3-oxop...)
Show SMILES CC(=O)N1CCc2cc(ccc12)S(=O)(=O)CCC(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C22H25N3O6S/c1-16(26)25-8-6-17-15-18(4-5-19(17)25)32(29,30)14-7-21(27)23-9-11-24(12-10-23)22(28)20-3-2-13-31-20/h2-5,13,15H,6-12,14H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42344
PNG
(MLS000094169 | N-[(2-pyridin-3-yl-1,3-thiazol-4-yl...)
Show SMILES O=S(=O)(NCc1csc(n1)-c1cccnc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H15N3O4S2/c21-26(22,14-3-4-15-16(8-14)24-7-6-23-15)19-10-13-11-25-17(20-13)12-2-1-5-18-9-12/h1-5,8-9,11,19H,6-7,10H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42349
PNG
((E)-[4,6-bis(1-piperidinyl)-1H-1,3,5-triazin-2-yli...)
Show SMILES ONC(=N)c1nc(nc(n1)N1CCCCC1)N1CCCCC1
Show InChI InChI=1S/C14H23N7O/c15-11(19-22)12-16-13(20-7-3-1-4-8-20)18-14(17-12)21-9-5-2-6-10-21/h22H,1-10H2,(H2,15,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42350
PNG
((1E)-1-(9-methyl-9H-carbazol-2-yl)ethanone oxime |...)
Show SMILES CC(N=O)c1ccc2c(c1)n(C)c1ccccc21
Show InChI InChI=1S/C15H14N2O/c1-10(16-18)11-7-8-13-12-5-3-4-6-14(12)17(2)15(13)9-11/h3-10H,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42369
PNG
(1-(3-ethoxypropyl)-2-imino-10-methyl-N-(2-morpholi...)
Show SMILES CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCCN2CCOCC2)c1=N
Show InChI InChI=1S/C24H32N6O4/c1-3-33-13-5-9-29-20(25)18(23(31)26-7-10-28-11-14-34-15-12-28)16-19-22(29)27-21-17(2)6-4-8-30(21)24(19)32/h4,6,8,16,25H,3,5,7,9-15H2,1-2H3,(H,26,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42370
PNG
(8-ethoxy-N-(2-oxolanylmethyl)-5-quinolinesulfonami...)
Show SMILES CCOc1ccc(c2cccnc12)S(=O)(=O)NCC1CCCO1
Show InChI InChI=1S/C16H20N2O4S/c1-2-21-14-7-8-15(13-6-3-9-17-16(13)14)23(19,20)18-11-12-5-4-10-22-12/h3,6-9,12,18H,2,4-5,10-11H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42376
PNG
(2-(3-chloro-2-methyl-N-methylsulfonylanilino)aceti...)
Show SMILES Cc1c(Cl)cccc1N(CC(O)=O)S(C)(=O)=O
Show InChI InChI=1S/C10H12ClNO4S/c1-7-8(11)4-3-5-9(7)12(6-10(13)14)17(2,15)16/h3-5H,6H2,1-2H3,(H,13,14)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42382
PNG
(11-(2,3-dichlorobenzyl)-7,11-diazatricyclo[7.3.1.0...)
Show SMILES Clc1cccc(CN2CC3CC(C2)c2cccc(=O)n2C3)c1Cl
Show InChI InChI=1S/C18H18Cl2N2O/c19-15-4-1-3-13(18(15)20)10-21-8-12-7-14(11-21)16-5-2-6-17(23)22(16)9-12/h1-6,12,14H,7-11H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42388
PNG
(MLS000254533 | N-(2-cyclohexylsulfanylethyl)-2-(1,...)
Show SMILES O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCSC1CCCCC1
Show InChI InChI=1S/C17H22N2O4S2/c20-16(18-10-11-24-13-6-2-1-3-7-13)12-19-17(21)14-8-4-5-9-15(14)25(19,22)23/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,18,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM40469
PNG
(2-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxa...)
Show SMILES [O-]N1C2CCCCC2[N+](=O)C=C1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H20N2O3/c23-21-14-20(22(24)19-9-5-4-8-18(19)21)15-10-12-17(13-11-15)25-16-6-2-1-3-7-16/h1-3,6-7,10-14,18-19H,4-5,8-9H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42397
PNG
(MLS000066799 | N-(4-hydroxyphenyl)-5-methyl-4-(phe...)
Show SMILES Cc1oc(cc1COc1ccccc1)C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C19H17NO4/c1-13-14(12-23-17-5-3-2-4-6-17)11-18(24-13)19(22)20-15-7-9-16(21)10-8-15/h2-11,21H,12H2,1H3,(H,20,22)
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42398
PNG
(1-(3-besylimidazolidin-1-yl)-2-morpholino-ethanone...)
Show SMILES O=C(CN1CCOCC1)N1CCN(C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H21N3O4S/c19-15(12-16-8-10-22-11-9-16)17-6-7-18(13-17)23(20,21)14-4-2-1-3-5-14/h1-5H,6-13H2
PDB
MMDB

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UniChem
PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42405
PNG
(MLS000110376 | N-(2-piperazin-1-yl-1,2-dihydroacen...)
Show SMILES O=S(=O)(NC1C(N2CCNCC2)c2cccc3cccc1c23)c1ccccc1
Show InChI InChI=1S/C22H23N3O2S/c26-28(27,17-8-2-1-3-9-17)24-21-18-10-4-6-16-7-5-11-19(20(16)18)22(21)25-14-12-23-13-15-25/h1-11,21-24H,12-15H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
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UniChem

Similars

PCBioAssay
n/an/an/an/a 1.67E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%