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BDBM50451265 CHEMBL4203463

SMILES: [Cl-].COc1cc(CN2CCN(CC2)c2ccc(C)cc2C)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O

InChI Key: InChIKey=CMLBRMUYOAMXPG-UHFFFAOYSA-O

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50451265   
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(...)		BDBM50451265
PNG
(CHEMBL4203463)
Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(C)cc2C)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
Show InChI InChI=1S/C32H33N3O4/c1-20-4-5-27(21(2)12-20)34-10-8-33(9-11-34)17-23-14-31(37-3)32(36)26-18-35-7-6-22-13-29-30(39-19-38-29)16-25(22)28(35)15-24(23)26/h4-5,12-16,18H,6-11,17,19H2,1-3H3/p+1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
 420n/an/an/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...

Bioorg Med Chem 25: 5185-5193 (2017)


Article DOI: 10.1016/j.bmc.2017.07.006
BindingDB Entry DOI: 10.7270/Q2BG2RK1
More data for this
Ligand-Target Pair