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BDBM50510696 CHEMBL4573332

SMILES: CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)n1cc(CNc2ccccc2)nn1)C(O)=O

InChI Key: InChIKey=VXMMQKJTIVWKLC-BHDDXSALSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50510696   
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(...)		BDBM50510696
PNG
(CHEMBL4573332)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)n1cc(CNc2ccccc2)nn1)C(O)=O |r,c:7|
Show InChI InChI=1S/C23H31N5O4/c1-4-19(5-2)32-21-12-16(23(30)31)11-20(22(21)25-15(3)29)28-14-18(26-27-28)13-24-17-9-7-6-8-10-17/h6-10,12,14,19-22,24H,4-5,11,13H2,1-3H3,(H,25,29)(H,30,31)/t20-,21+,22+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 5.00E+3n/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