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BDBM50083320 3-Acetylamino-6-dihydroxymethyl-2-(phenethyl-propyl-carbamoyl)-3,4-dihydro-2H-pyran-4-yl-ammonium

SMILES: CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O

InChI Key: InChIKey=HVSTYIIEVDSSJN-CGTJXYLNSA-O

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50083320   
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(...)		BDBM50083320
PNG
(3-Acetylamino-6-dihydroxymethyl-2-(phenethyl-propy...)
Show SMILES CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O |c:17|
Show InChI InChI=1S/C20H29N3O5/c1-3-10-23(11-9-14-7-5-4-6-8-14)19(25)18-17(22-13(2)24)15(21)12-16(28-18)20(26)27/h4-8,12,15,17-18,20,26-27H,3,9-11,21H2,1-2H3,(H,22,24)/p+1/t15-,17+,18+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
 0.650n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Neuraminidase binding affinity in Influenza A

J Med Chem 42: 5142-52 (2000)


BindingDB Entry DOI: 10.7270/Q27M08NT
More data for this
Ligand-Target Pair