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BDBM50009296 LANINAMIVIR::R-125489

SMILES: [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC)[C@H](O)CO

InChI Key: InChIKey=QNRRHYPPQFELSF-CNYIRLTGSA-N

Data: 1 IC50

PDB links: 7 PDB IDs match this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50009296   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuraminidase


(Influenza A virus)
BDBM50009296
PNG
(LANINAMIVIR | R-125489)
Show SMILES CO[C@H]([C@H](O)CO)[C@@H]1OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17)/t6-,7+,9+,10+,11+/m0/s1
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PC cid
PC sid
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Similars

PDB
Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/RI/5+/1957(H2N2)) recombinant neuraminidase using MUNANA as substrate after 30 mins


Bioorg Med Chem 22: 2236-43 (2014)


Article DOI: 10.1016/j.bmc.2014.02.014
BindingDB Entry DOI: 10.7270/Q22F7PZ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)