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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sucrase-isomaltase, intestinal' and Ligand = 'BDBM50024136'   
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, intestinal


(Homo sapiens (Human))
BDBM50024136
PNG
(5-(3,5-Di-tert-butyl-4-hydroxy-benzylamino)-1-hydr...)
Show SMILES CC(C)(C)c1cc(CN[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)cc(c1O)C(C)(C)C |r|
Show InChI InChI=1S/C22H37NO6/c1-20(2,3)13-7-12(8-14(16(13)25)21(4,5)6)10-23-15-9-22(29,11-24)19(28)18(27)17(15)26/h7-8,15,17-19,23-29H,9-11H2,1-6H3/t15-,17?,18-,19-,22?/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 6.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Alpha-D-glucosidase inhibitory activity and enzyme inhibition in vitro against porcine sucrase


J Med Chem 29: 1038-46 (1986)


BindingDB Entry DOI: 10.7270/Q27P8ZZV
More data for this
Ligand-Target Pair