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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-galactosidase' and Ligand = 'BDBM50321618'   
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))
BDBM50321618
PNG
(CHEMBL1172470 | N-(N'-Biotinylaminoethyl)-aminocar...)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCC(=O)NCCNC(=O)CCCCC1SCC2NC(=O)NC12 |r|
Show InChI InChI=1S/C24H43N5O7S/c30-13-16-22(34)23(35)17(31)12-29(16)11-5-1-2-7-19(32)25-9-10-26-20(33)8-4-3-6-18-21-15(14-37-18)27-24(36)28-21/h15-18,21-23,30-31,34-35H,1-14H2,(H,25,32)(H,26,33)(H2,27,28,36)/t15?,16-,17+,18?,21?,22+,23-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Technische Universit£t Graz

Curated by ChEMBL


Assay Description
Inhibition of alpha-galactosidase green coffee beans


Bioorg Med Chem Lett 20: 4077-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.084
BindingDB Entry DOI: 10.7270/Q24Q7VZN
More data for this
Ligand-Target Pair