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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'N-acylneuraminate-9-phosphatase' and Ligand = 'BDBM50436924'   
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
N-acylneuraminate-9-phosphatase


(Homo sapiens (Human))
BDBM50436924
PNG
(CHEMBL2402116)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)4-13(23,12(21)22)24-11(9)10(20)6(16)2-3-8(18)19/h6-7,9-11,16-17,20,23H,2-4H2,1H3,(H,14,15)(H,18,19)(H,21,22)/t6-,7+,9-,10-,11-,13+/m1/s1
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Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDHD4 (unknown origin) using Neu5Ac-9-P as substrate assessed as release of phosphate after 30 mins by maiachite green assa...


Bioorg Med Chem Lett 23: 4107-11 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.052
BindingDB Entry DOI: 10.7270/Q2TB1897
More data for this
Ligand-Target Pair