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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 = 'BDBM50507476'   
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))		BDBM50507476
PNG
(CHEMBL4555514)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1SCCCNCCCN1C(=O)c2cccc3c(Br)ccc(C1=O)c23 |r|
Show InChI InChI=1S/C26H32BrN3O7S/c1-14(32)29-21-23(34)22(33)19(13-31)37-26(21)38-12-4-10-28-9-3-11-30-24(35)16-6-2-5-15-18(27)8-7-17(20(15)16)25(30)36/h2,5-8,19,21-23,26,28,31,33-34H,3-4,9-13H2,1H3,(H,29,32)/t19-,21-,22-,23-,26+/m1/s1
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Article
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 4.40E+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