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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50222706'   
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
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50222706
PNG
(CHEMBL159225)
Show SMILES [H][C@]1(OCC[C@@H](O)[C@H]1O)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:13|
Show InChI InChI=1S/C14H22N4O7/c1-5(19)17-9-6(18-14(15)16)4-8(13(22)23)25-11(9)12-10(21)7(20)2-3-24-12/h4,6-7,9-12,20-21H,2-3H2,1H3,(H,17,19)(H,22,23)(H4,15,16,18)/t6-,7+,9+,10+,11+,12+/m0/s1
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PC cid
PC sid
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Patents

Similars
PubMed
n/an/a 28.7n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against influenza A virus sialidase A/PR/8/34

Bioorg Med Chem Lett 13: 669-73 (2003)


BindingDB Entry DOI: 10.7270/Q2P84F3T
More data for this
Ligand-Target Pair