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Compile Data Set for Download or QSAR

Found 158 hits of ec50 data for polymerid = 1913   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
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
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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)

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)

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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n/an/an/an/a 2.65E+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)

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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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)

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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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)

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)

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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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)

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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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)

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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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)

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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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)

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)

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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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)

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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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)

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)

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)

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

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


PubChem Bioassay (2008)

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)

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

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


PubChem Bioassay (2008)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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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n/an/an/an/a 1.59E+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)

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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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)

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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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)

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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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)

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)

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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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)

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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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)

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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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)

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)

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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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)

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)

More data for this
Ligand-Target Pair
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