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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-galactosidase' and Ligand = 'BDBM50236280'   
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))		BDBM50236280
PNG
(CHEMBL4100971)
Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12|
Show InChI InChI=1S/C20H24F13N3O5S/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)4-3-9(37)34-5-1-2-6-35-14(42)36-8-7-41-13(36)12(40)11(39)10(8)38/h8,10-13,38-40H,1-7H2,(H,34,37)(H,35,42)/t8-,10-,11+,12-,13+/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Sevilla

Curated by ChEMBL


Assay Description
Inhibition of green coffee bean alpha-galactosidase using beta-D-glycopyranoside after 10 to 30 mins by spectrophotometry

J Med Chem 60: 1829-1842 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01550
BindingDB Entry DOI: 10.7270/Q2K939S5
More data for this
Ligand-Target Pair