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Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'lampronti' and Initial = 'i'   
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
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50335390
PNG
(CHEMBL1651630 | N-Hexoxypentyl-1-deoxynojirimycin)
Show SMILES CCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C17H35NO5/c1-2-3-4-7-10-23-11-8-5-6-9-18-12-15(20)17(22)16(21)14(18)13-19/h14-17,19-22H,2-13H2,1H3/t14-,15+,16-,17-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50524479
PNG
(CHEMBL4459011)
Show SMILES CCCCCCOCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C17H35NO5/c1-2-3-4-7-10-23-11-8-5-6-9-18-12-15(20)17(22)16(21)14(18)13-19/h14-17,19-22H,2-13H2,1H3
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n/an/a 1n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50299749
PNG
((2R,3R,4R,5S)-1-[5-(Adamantan-1-ylmethoxy)-pentyl]...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:19.20.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:19:27.21.22|
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1
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n/an/a 3n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50524480
PNG
(CHEMBL4559665)
Show SMILES OCC1C(O)C(O)C(O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2
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n/an/a 4n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50335387
PNG
(CHEMBL1651633 | N-Nonoxypentyl-1-deoxynojirimycin)
Show SMILES CCCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C20H41NO5/c1-2-3-4-5-6-7-10-13-26-14-11-8-9-12-21-15-18(23)20(25)19(24)17(21)16-22/h17-20,22-25H,2-16H2,1H3/t17-,18+,19-,20-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50156357
PNG
(2-Hydroxymethyl-1-nonyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3
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n/an/a 35n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50524486
PNG
(CHEMBL4577406)
Show SMILES CCCCCCCCCOCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C20H41NO5/c1-2-3-4-5-6-7-10-13-26-14-11-8-9-12-21-15-18(23)20(25)19(24)17(21)16-22/h17-20,22-25H,2-16H2,1H3
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n/an/a 44n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50524485
PNG
(CHEMBL4435506)
Show SMILES OC[C@H]1[C@H](O)[C@@H](O)[C@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m0/s1
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n/an/a 65n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50524481
PNG
(CHEMBL4459494)
Show SMILES CCCCCCCCCOCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C20H41NO5/c1-2-3-4-5-6-7-10-13-26-14-11-8-9-12-21-15-18(23)20(25)19(24)17(21)16-22/h17-20,22-25H,2-16H2,1H3/t17-,18+,19-,20-/m0/s1
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n/an/a 137n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50524484
PNG
(CHEMBL187262)
Show SMILES CCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3
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n/an/a 260n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50331545
PNG
(2H-furo[2,3-h]chromen-2-one | CHEMBL53569 | Furo[2...)
Show SMILES O=c1ccc2ccc3occc3c2o1
Show InChI InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H
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n/an/a 2.50E+3n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50331544
PNG
(7H-furo[3,2-g]chromen-7-one | CHEMBL164660 | Furo[...)
Show SMILES O=c1ccc2cc3ccoc3cc2o1
Show InChI InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
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n/an/a 3.00E+3n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50524482
PNG
(CHEMBL4460711)
Show SMILES CCCCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50331548
PNG
(4-((7-hydroxy-4-oxo-1,2,3,4-tetrahydrocyclopenta[c...)
Show SMILES OC(=O)c1ccc(COc2cc(O)cc3oc(=O)c4CCCc4c23)cc1
Show InChI InChI=1S/C20H16O6/c21-13-8-16(25-10-11-4-6-12(7-5-11)19(22)23)18-14-2-1-3-15(14)20(24)26-17(18)9-13/h4-9,21H,1-3,10H2,(H,22,23)
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n/an/a 5.00E+3n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50335390
PNG
(CHEMBL1651630 | N-Hexoxypentyl-1-deoxynojirimycin)
Show SMILES CCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C17H35NO5/c1-2-3-4-7-10-23-11-8-5-6-9-18-12-15(20)17(22)16(21)14(18)13-19/h14-17,19-22H,2-13H2,1H3/t14-,15+,16-,17-/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measur...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measur...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50243651
PNG
(CHEMBL4061367)
Show SMILES CCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m0/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50331546
PNG
(2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)benzenes...)
Show SMILES Oc1ccc2c(-c3ccccc3S(O)(=O)=O)c3ccc(=O)c(O)c3oc2c1O |(5.36,3.71,;6.7,2.94,;6.69,1.4,;8.03,.63,;9.35,1.4,;10.69,.62,;10.68,-.91,;9.35,-1.67,;9.34,-3.21,;10.67,-3.98,;12.01,-3.21,;12.01,-1.67,;13.34,-.9,;14.66,-.12,;14.12,-2.23,;12.56,.43,;12.03,1.39,;13.37,.61,;14.72,1.38,;14.73,2.94,;16.06,3.7,;13.38,3.72,;13.38,5.26,;12.04,2.95,;10.69,3.73,;9.36,2.95,;8.02,3.71,;8.02,5.25,)|
Show InChI InChI=1S/C19H12O8S/c20-12-7-5-10-15(9-3-1-2-4-14(9)28(24,25)26)11-6-8-13(21)17(23)19(11)27-18(10)16(12)22/h1-8,20,22-23H,(H,24,25,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50331543
PNG
(3-(3-fluoro-4-methoxyphenyl)-5-phenyl-7H-furo[3,2-...)
Show SMILES COc1ccc(cc1F)-c1coc2cc3oc(=O)cc(-c4ccccc4)c3cc12
Show InChI InChI=1S/C24H15FO4/c1-27-21-8-7-15(9-20(21)25)19-13-28-22-12-23-17(10-18(19)22)16(11-24(26)29-23)14-5-3-2-4-6-14/h2-13H,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50331542
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-5-phenyl-7H-furo[3,2-...)
Show SMILES O=c1cc(-c2ccccc2)c2cc3c(coc3cc2o1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C24H14O5/c25-24-10-16(14-4-2-1-3-5-14)17-9-18-19(12-26-21(18)11-22(17)29-24)15-6-7-20-23(8-15)28-13-27-20/h1-12H,13H2
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n/an/a 2.00E+4n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50331547
PNG
(CHEMBL210287 | bromopyrogallol red)
Show SMILES Oc1c(Br)cc2c(-c3ccccc3S(O)(=O)=O)c3cc(Br)c(=O)c(O)c3oc2c1O |(-8.37,3.47,;-7.03,2.7,;-7.04,1.16,;-8.37,.39,;-5.7,.39,;-4.37,1.16,;-3.04,.38,;-3.04,-1.16,;-4.38,-1.91,;-4.38,-3.45,;-3.05,-4.22,;-1.71,-3.45,;-1.72,-1.92,;-.38,-1.15,;.94,-.37,;.39,-2.47,;-1.17,.19,;-1.69,1.15,;-.36,.37,;1,1.14,;2.33,.36,;1,2.7,;2.34,3.46,;-.34,3.48,;-.34,5.02,;-1.69,2.71,;-3.03,3.49,;-4.37,2.71,;-5.71,3.47,;-5.71,5.01,)|
Show InChI InChI=1S/C19H10Br2O8S/c20-10-5-8-13(7-3-1-2-4-12(7)30(26,27)28)9-6-11(21)15(23)17(25)19(9)29-18(8)16(24)14(10)22/h1-6,22,24-25H,(H,26,27,28)
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n/an/a 3.00E+4n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50524483
PNG
(CHEMBL4435540)
Show SMILES CCCCCCOCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C17H35NO5/c1-2-3-4-7-10-23-11-8-5-6-9-18-12-15(20)17(22)16(21)14(18)13-19/h14-17,19-22H,2-13H2,1H3/t14-,15+,16-,17-/m0/s1
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n/an/a 3.67E+4n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50331541
PNG
(2-(2-methoxyethylamino)-6-methyl-3-(3,4,5-trimetho...)
Show SMILES COCCNc1oc2c(c1-c1cc(OC)c(OC)c(OC)c1)c(=O)oc1c(C)cccc21
Show InChI InChI=1S/C24H25NO7/c1-13-7-6-8-15-20(13)32-24(26)19-18(23(31-21(15)19)25-9-10-27-2)14-11-16(28-3)22(30-5)17(12-14)29-4/h6-8,11-12,25H,9-10H2,1-5H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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n/an/a 5.00E+4n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50331540
PNG
(8-(4-Methoxy-benzoyl)-4-methyl-9-phenyl-furo[2,3-h...)
Show SMILES COc1ccc(cc1)C(=O)c1oc2ccc3c(C)cc(=O)oc3c2c1-c1ccccc1
Show InChI InChI=1S/C26H18O5/c1-15-14-21(27)31-25-19(15)12-13-20-23(25)22(16-6-4-3-5-7-16)26(30-20)24(28)17-8-10-18(29-2)11-9-17/h3-14H,1-2H3
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n/an/a 6.00E+4n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50243651
PNG
(CHEMBL4061367)
Show SMILES CCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m0/s1
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n/an/a 6.20E+4n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measur...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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n/an/a 1.18E+5n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measur...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50524482
PNG
(CHEMBL4460711)
Show SMILES CCCCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m0/s1
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n/an/a 1.36E+5n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measur...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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n/an/a 2.00E+5n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50524483
PNG
(CHEMBL4435540)
Show SMILES CCCCCCOCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C17H35NO5/c1-2-3-4-7-10-23-11-8-5-6-9-18-12-15(20)17(22)16(21)14(18)13-19/h14-17,19-22H,2-13H2,1H3/t14-,15+,16-,17-/m0/s1
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n/an/a 6.03E+5n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measur...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair