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Compile Data Set for Download or QSAR

Found 205 hits of ec50 data for polymerid = 1913   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5277174
PNG
PDB
MMDB

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n/an/an/an/a 5.60n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5270898
PNG
PDB
MMDB

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n/an/an/an/a 9.60n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5270898
PNG
PDB
MMDB

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n/an/an/an/a 13n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5266290
PNG
PDB
MMDB

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n/an/an/an/a 29n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5283935
PNG
PDB
MMDB

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n/an/an/an/a 30n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5272738
PNG
PDB
MMDB

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n/an/an/an/a 40n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5290073
PNG
PDB
MMDB

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n/an/an/an/a 58n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5276122
PNG
PDB
MMDB

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n/an/an/an/a 63n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5276663
PNG
PDB
MMDB

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n/an/an/an/a 70n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5291224
PNG
PDB
MMDB

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n/an/an/an/a 72n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5271750
PNG
PDB
MMDB

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n/an/an/an/a 75n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5280450
PNG
PDB
MMDB

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n/an/an/an/a 79n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL4561657
PNG
PDB
MMDB

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n/an/an/an/a 90n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5287675
PNG
PDB
MMDB

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n/an/an/an/a 100n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5289154
PNG
PDB
MMDB

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n/an/an/an/a 120n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5288960
PNG
PDB
MMDB

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n/an/an/an/a 130n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5282146
PNG
PDB
MMDB

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n/an/an/an/a 150n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5265984
PNG
PDB
MMDB

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n/an/an/an/a 150n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5287219
PNG
PDB
MMDB

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n/an/an/an/a 170n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5278339
PNG
PDB
MMDB

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n/an/an/an/a 170n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5289693
PNG
PDB
MMDB

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n/an/an/an/a 220n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5290054
PNG
PDB
MMDB

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n/an/an/an/a 250n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
PDB
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PDB
n/an/an/an/a 300n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5287823
PNG
PDB
MMDB

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n/an/an/an/a 360n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
PDB
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n/an/an/an/a 390n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5285193
PNG
PDB
MMDB

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n/an/an/an/a 410n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5271587
PNG
PDB
MMDB

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n/an/an/an/a 440n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5272952
PNG
PDB
MMDB

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n/an/an/an/a 460n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5267578
PNG
PDB
MMDB

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n/an/an/an/a 540n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5272591
PNG
PDB
MMDB

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n/an/an/an/a 630n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5283330
PNG
PDB
MMDB

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n/an/an/an/a 660n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5270914
PNG
PDB
MMDB

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n/an/an/an/a 680n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50537912
PNG
(CHEMBL4649463)
Show SMILES CCCCC(C(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1C(C)C
Show InChI InChI=1S/C25H35NO2/c1-6-7-10-24(23-12-9-8-11-22(23)19(2)3)25(27)20-13-15-21(16-14-20)28-18-17-26(4)5/h8-9,11-16,19,24H,6-7,10,17-18H2,1-5H3
PDB
MMDB

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n/an/an/an/a 700n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Chaperone activity at GCase in wild-type human fibroblasts assessed as increase in GPN-induced reduction of calcium release using Fluo-8AM based fluo...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126806
BindingDB Entry DOI: 10.7270/Q2ZP49NZ
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50537914
PNG
(CHEMBL4636676)
Show SMILES CC(C)CC(C(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1C1CC1
Show InChI InChI=1S/C25H33NO2/c1-18(2)17-24(23-8-6-5-7-22(23)19-9-10-19)25(27)20-11-13-21(14-12-20)28-16-15-26(3)4/h5-8,11-14,18-19,24H,9-10,15-17H2,1-4H3
PDB
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n/an/an/an/a 1.10E+3n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Chaperone activity at GCase in wild-type human fibroblasts assessed as increase in GPN-induced reduction of calcium release using Fluo-8AM based fluo...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126806
BindingDB Entry DOI: 10.7270/Q2ZP49NZ
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50537911
PNG
(CHEMBL4635139)
Show SMILES CCCCC(C(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1\C=C\C
Show InChI InChI=1S/C25H33NO2/c1-5-7-12-24(23-13-9-8-11-20(23)10-6-2)25(27)21-14-16-22(17-15-21)28-19-18-26(3)4/h6,8-11,13-17,24H,5,7,12,18-19H2,1-4H3/b10-6+
PDB
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n/an/an/an/a 1.10E+3n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Chaperone activity at GCase in wild-type human fibroblasts assessed as increase in GPN-induced reduction of calcium release using Fluo-8AM based fluo...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126806
BindingDB Entry DOI: 10.7270/Q2ZP49NZ
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50537913
PNG
(CHEMBL4647988)
Show SMILES CC(C)CC(C(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1C(C)C
Show InChI InChI=1S/C25H35NO2/c1-18(2)17-24(23-10-8-7-9-22(23)19(3)4)25(27)20-11-13-21(14-12-20)28-16-15-26(5)6/h7-14,18-19,24H,15-17H2,1-6H3
PDB
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n/an/an/an/a 1.10E+3n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Chaperone activity at GCase in wild-type human fibroblasts assessed as increase in GPN-induced reduction of calcium release using Fluo-8AM based fluo...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126806
BindingDB Entry DOI: 10.7270/Q2ZP49NZ
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5279401
PNG
PDB
MMDB

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n/an/an/an/a 1.40E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(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
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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)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5289722
PNG
PDB
MMDB

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n/an/an/an/a 1.80E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5279069
PNG
PDB
MMDB

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n/an/an/an/a 2.10E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(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)
PDB
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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
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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Article
PubMed
n/an/an/an/a 2.50E+3n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Chaperone activity at GCase in wild-type human fibroblasts assessed as increase in GPN-induced reduction of calcium release using Fluo-8AM based fluo...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126806
BindingDB Entry DOI: 10.7270/Q2ZP49NZ
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(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)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5275563
PNG
PDB
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n/an/an/an/a 5.20E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5268346
PNG
PDB
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n/an/an/an/a 5.30E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5285901
PNG
PDB
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n/an/an/an/a 6.01E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5266397
PNG
PDB
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n/an/an/an/a 6.80E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
CHEMBL5272210
PNG
PDB
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n/an/an/an/a 7.10E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(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)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(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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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
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