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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 = 'BDBM50436925'   
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))
BDBM50436925
PNG
(CHEMBL3037907)
Show SMILES COC(=O)[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CCP(O)(O)=O)OC |r|
Show InChI InChI=1S/C14H26NO11P/c1-7(16)15-10-9(18)6-14(25-3,13(20)24-2)26-12(10)11(19)8(17)4-5-27(21,22)23/h8-12,17-19H,4-6H2,1-3H3,(H,15,16)(H2,21,22,23)/t8-,9+,10-,11-,12-,14+/m1/s1
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Similars

Article
PubMed
n/an/a 9.37E+4n/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