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BDBM50300188 CHEMBL480470::katsumadain A

SMILES: O=C(CCc1ccccc1)C[C@@H]1C[C@@H](c2ccccc2)c2c(O1)cc(\C=C\c1ccccc1)oc2=O

InChI Key: InChIKey=IAIGBNIWSBFKNA-FIACUDKOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50300188   
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 A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50300188
PNG
(CHEMBL480470 | katsumadain A)
Show SMILES O=C(CCc1ccccc1)C[C@@H]1C[C@@H](c2ccccc2)c2c(O1)cc(\C=C\c1ccccc1)oc2=O |r|
Show InChI InChI=1S/C32H28O4/c33-26(18-16-23-10-4-1-5-11-23)20-28-21-29(25-14-8-3-9-15-25)31-30(35-28)22-27(36-32(31)34)19-17-24-12-6-2-7-13-24/h1-15,17,19,22,28-29H,16,18,20-21H2/b19-17+/t28-,29+/m1/s1
PDB
MMDB

KEGG

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of Influenza Virus A/PR/8/34 neuraminidase chemiluminescence-based enzyme inhibition assay

J Med Chem 53: 778-86 (2010)


Article DOI: 10.1021/jm901440f
BindingDB Entry DOI: 10.7270/Q2QV3MKZ
More data for this
Ligand-Target Pair