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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-galactosidase' and Ligand = 'BDBM50341332'   
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-galactosidase


(Coffea arabica (Coffee beans))		BDBM50341332
PNG
(CHEMBL1766350 | rel-(1R,2S,4R,5S)-6-[(1-(3,5-Bis(b...)
Show SMILES O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)nn2)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C30H34N4O7/c35-26-25(27(36)29(38)30(39)28(26)37)31-14-22-16-34(33-32-22)15-21-11-23(40-17-19-7-3-1-4-8-19)13-24(12-21)41-18-20-9-5-2-6-10-20/h1-13,16,25-31,35-39H,14-15,17-18H2/t25-,26-,27+,28+,29-,30-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas)

Curated by ChEMBL


Assay Description
Inhibition of alpha-galactosidase from coffee beans

J Med Chem 54: 2069-79 (2011)


Article DOI: 10.1021/jm101204u
BindingDB Entry DOI: 10.7270/Q24F1R18
More data for this
Ligand-Target Pair