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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sucrase-isomaltase' and Ligand = 'BDBM18355'   
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
UniProtKB/TrEMBL

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MCE
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PC cid
PC sid
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Article
PubMed
n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of sucrase in mouse intestinal input by glucose release assay


ACS Med Chem Lett 2: 119-123 (2011)


Article DOI: 10.1021/ml100192b
BindingDB Entry DOI: 10.7270/Q21C1X5H
More data for this
Ligand-Target Pair
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
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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