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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-galactosidase' and Ligand = 'BDBM50356096'   
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
Beta-galactosidase


(Homo sapiens)
BDBM50356096
PNG
(CHEMBL1911831)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCNC(=O)CCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C30H48N4O7S/c1-33(2)24-14-10-13-23-22(24)12-11-15-27(23)42(40,41)32-18-8-4-3-7-17-31-28(37)16-6-5-9-19-34-20-26(36)30(39)29(38)25(34)21-35/h10-15,25-26,29-30,32,35-36,38-39H,3-9,16-21H2,1-2H3,(H,31,37)/t25-,26+,29+,30-/m1/s1
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Similars

Article
PubMed
700n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-galactosidase assessed as inhibition of hydrolyzed 4-methylumbelliferone production after 30 mins by luminescence ...


Bioorg Med Chem Lett 21: 6872-5 (2011)

More data for this
Ligand-Target Pair