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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-glucosidase MAL12' and Ligand = 'BDBM50180587'   
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
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)		BDBM50180587
PNG
(CHEMBL3734896)
Show SMILES [H]C1(OC2C(CO)OC([H])(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)OC(C)C(NC2([H])C=C(CO)C(O)C(O)C2O)C(O)C1O |t:35|
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9?,10-,11-,12-,13+,14+,15+,16?,17-,18-,19-,20-,21?,22-,23?,24-,25-/m1/s1
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Similars
Article
PubMed
n/an/a 3.39E+4n/an/an/an/an/an/a



National Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase MAL12 using 4-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 30 mins followed by substrate a...

Bioorg Med Chem Lett 26: 4007-14 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.086
BindingDB Entry DOI: 10.7270/Q22B910H
More data for this
Ligand-Target Pair