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SMILES: COc1cc(cc(OC)c1OC)-n1cc(CCC(=O)N[C@@H]2OC(CO)[C@@H](O)C(O)C2O)nn1

InChI Key: InChIKey=UTDHAVJGHIYBLA-QEDKLBHFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 222412   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae)		BDBM222412
PNG
(3-[1-(3,4, 5-trimethoxyphenyl)-1H-[1,2,3]triazol-4...)
Show SMILES COc1cc(cc(OC)c1OC)-n1cc(CCC(=O)N[C@@H]2OC(CO)[C@@H](O)C(O)C2O)nn1 |r|
Show InChI InChI=1S/C20H28N4O9/c1-30-12-6-11(7-13(31-2)19(12)32-3)24-8-10(22-23-24)4-5-15(26)21-20-18(29)17(28)16(27)14(9-25)33-20/h6-8,14,16-18,20,25,27-29H,4-5,9H2,1-3H3,(H,21,26)/t14?,16-,17?,18?,20-/m1/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.21E+5n/an/an/an/a6.81



CSIR-Indian Institute of Chemical Biology



Assay Description
Briefly, the sample solution (25 μL, 1.0 mM solution in DMSO) was mixed with enzyme solution (25 μL, 0.5 U/mL prepared in 0.1 M phosphate buffe...

Bioorg Chem 72: 11-20 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.006
BindingDB Entry DOI: 10.7270/Q2D7999X
More data for this
Ligand-Target Pair