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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50219998'   
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(...)		BDBM50219998
PNG
(CHEMBL291455)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OCC1CCCCC1)[C@H](O)CO |c:9|
Show InChI InChI=1S/C19H32N4O7/c1-10(25)22-15-12(23-19(20)21)7-14(18(27)28)30-17(15)16(13(26)8-24)29-9-11-5-3-2-4-6-11/h7,11-13,15-17,24,26H,2-6,8-9H2,1H3,(H,22,25)(H,27,28)(H4,20,21,23)/t12-,13+,15+,16+,17+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 67.5n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of influenza A sialidase in vitro.

Bioorg Med Chem Lett 12: 1925-8 (2002)


BindingDB Entry DOI: 10.7270/Q2RB76SB
More data for this
Ligand-Target Pair