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BDBM50482881 CHEMBL1271155

SMILES: Cc1c(O)c(C)c2O[C@@H]([C@@H](O)C(=O)c2c1O)c1ccccc1

InChI Key: InChIKey=HDEMWSJTNCFIGR-DOTOQJQBSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50482881   
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)
BDBM50482881
PNG
(CHEMBL1271155)
Show SMILES Cc1c(O)c(C)c2O[C@@H]([C@@H](O)C(=O)c2c1O)c1ccccc1 |r|
Show InChI InChI=1S/C17H16O5/c1-8-12(18)9(2)16-11(13(8)19)14(20)15(21)17(22-16)10-6-4-3-5-7-10/h3-7,15,17-19,21H,1-2H3/t15-,17+/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.68E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis


J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50482881
PNG
(CHEMBL1271155)
Show SMILES Cc1c(O)c(C)c2O[C@@H]([C@@H](O)C(=O)c2c1O)c1ccccc1 |r|
Show InChI InChI=1S/C17H16O5/c1-8-12(18)9(2)16-11(13(8)19)14(20)15(21)17(22-16)10-6-4-3-5-7-10/h3-7,15,17-19,21H,1-2H3/t15-,17+/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.75E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis


J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair