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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50089681   
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 alpha


(Homo sapiens (Human))
BDBM50089681
PNG
(CHEMBL3577322)
Show SMILES CCc1nc(N)nc(N)c1-c1cccc(C)c1
Show InChI InChI=1S/C13H16N4/c1-3-10-11(12(14)17-13(15)16-10)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H4,14,15,16,17)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada.

Curated by ChEMBL


Assay Description
Inhibition of human placental HexA using pNPGlcNAc substrate


J Med Chem 58: 4483-93 (2015)


Article DOI: 10.1021/jm5017895
BindingDB Entry DOI: 10.7270/Q28054CK
More data for this
Ligand-Target Pair