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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 = 'BDBM50436923'   
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))
BDBM50436923
PNG
(CHEMBL2402022)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CCP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C12H22NO11P/c1-5(14)13-8-7(16)4-12(20,11(18)19)24-10(8)9(17)6(15)2-3-25(21,22)23/h6-10,15-17,20H,2-4H2,1H3,(H,13,14)(H,18,19)(H2,21,22,23)/t6-,7+,8-,9-,10-,12+/m1/s1
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Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


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


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