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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'iacono' and Initial = 'r'   
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
Sucrase-isomaltase


(Mus musculus)
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 1.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of wild type C57BL/6 mouse small intestinal sucrase/isomaltase using sucrose as substrate after 30 mins


J Med Chem 60: 9462-9469 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00646
BindingDB Entry DOI: 10.7270/Q2SJ1P1C
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)
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 5.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of rat liver lysosomal alpha-glucosidase using p-nitrophenyl alpha-D-glucopyranoside as substrate by colorimetric method


J Med Chem 60: 9462-9469 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00646
BindingDB Entry DOI: 10.7270/Q2SJ1P1C
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(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 1.58E+5n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GAA by UV-visible spectrophotometric method


J Med Chem 60: 9462-9469 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00646
BindingDB Entry DOI: 10.7270/Q2SJ1P1C
More data for this
Ligand-Target Pair
Lysosomal acid/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 1.80E+5n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 60: 9462-9469 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00646
BindingDB Entry DOI: 10.7270/Q2SJ1P1C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 3.00E+5n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GBA1


J Med Chem 60: 9462-9469 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00646
BindingDB Entry DOI: 10.7270/Q2SJ1P1C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sucrase-isomaltase


(Mus musculus)
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 2.00E+6n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of wild type C57BL/6 mouse small intestinal sucrase/isomaltase using sucrose as substrate after 30 mins


J Med Chem 60: 9462-9469 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00646
BindingDB Entry DOI: 10.7270/Q2SJ1P1C
More data for this
Ligand-Target Pair
Beta-galactosidase


(Mus musculus)
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 5.00E+6n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter


J Med Chem 60: 9462-9469 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00646
BindingDB Entry DOI: 10.7270/Q2SJ1P1C
More data for this
Ligand-Target Pair