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PDB code 2GK1

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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 (Hex B)

  (503/503 = 100%)
(Homo sapiens (Human))
BDBM50327038
PNG
((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...)
Show SMILES CC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:1|
Show InChI InChI=1/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6-,7-,8-/s2
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MMDB

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Article
PubMed
2.70E+5n/an/an/an/an/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of human beta hexosaminidase


Bioorg Med Chem Lett 18: 2944-7 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output