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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-hexosaminidase subunit beta' and Ligand = 'BDBM50507463'   
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-hexosaminidase subunit beta


(Homo sapiens (Human))		BDBM50507463
PNG
(CHEMBL4452208)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1SCCCNCCN1C(=O)c2cccc3c(Cl)ccc(C1=O)c23 |r|
Show InChI InChI=1S/C25H30ClN3O7S/c1-13(31)28-20-22(33)21(32)18(12-30)36-25(20)37-11-3-8-27-9-10-29-23(34)15-5-2-4-14-17(26)7-6-16(19(14)15)24(29)35/h2,4-7,18,20-22,25,27,30,32-33H,3,8-12H2,1H3,(H,28,31)/t18-,20-,21-,22-,25+/m1/s1
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Article
PubMed
 1.60E+3n/an/an/an/an/an/an/an/a



China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged HexB expressed in Pichia pastoris using varying levels of 4-Mu-GlcNAc as substrate preincubated for 10 mi...

ACS Med Chem Lett 9: 1241-1246 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00406
BindingDB Entry DOI: 10.7270/Q2ZS30VK
More data for this
Ligand-Target Pair