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BDBM50510686 CHEMBL4524995

SMILES: CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cn(CC(C)(CO)CO)nn2)[C@H]1NC(C)=O)C(O)=O

InChI Key: InChIKey=TXDLTRZYBLLQBI-XUVXKRRUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50510686   
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 (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50510686
PNG
(CHEMBL4524995)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cn(CC(C)(CO)CO)nn2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C22H37N5O6/c1-5-17(6-2)33-19-8-15(21(31)32)7-18(20(19)24-14(3)30)23-9-16-10-27(26-25-16)11-22(4,12-28)13-29/h8,10,17-20,23,28-29H,5-7,9,11-13H2,1-4H3,(H,24,30)(H,31,32)/t18-,19+,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 710n/an/an/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/Nakorn-Patom/Thailand/CU-K2-2004 Neuraminidase N1 at pH 7.4 by DIANA assay

Bioorg Med Chem 27: 2935-2947 (2019)


Article DOI: 10.1016/j.bmc.2019.05.024
More data for this
Ligand-Target Pair