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SMILES: CC1(C)Oc2ccc3CC(O)COc3c2C=C1

InChI Key: InChIKey=KAZSRFGQIWPLLH-UHFFFAOYSA-N

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 4 hits for monomerid = 50496211   
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)
BDBM50496211
PNG
(CHEMBL3125436)
Show SMILES CC1(C)Oc2ccc3CC(O)COc3c2C=C1 |c:17|
Show InChI InChI=1S/C14H16O3/c1-14(2)6-5-11-12(17-14)4-3-9-7-10(15)8-16-13(9)11/h3-6,10,15H,7-8H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.55E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus J/8178/09 neuraminidase by chemiluminescence based assay


J Nat Prod 77: 563-70 (2014)


Article DOI: 10.1021/np400817j
BindingDB Entry DOI: 10.7270/Q23J3GZJ
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50496211
PNG
(CHEMBL3125436)
Show SMILES CC1(C)Oc2ccc3CC(O)COc3c2C=C1 |c:17|
Show InChI InChI=1S/C14H16O3/c1-14(2)6-5-11-12(17-14)4-3-9-7-10(15)8-16-13(9)11/h3-6,10,15H,7-8H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.06E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of oseltamivir-resistant Influenza A virus H1N1 B/55/08 neuraminidase by chemiluminescence based assay


J Nat Prod 77: 563-70 (2014)


Article DOI: 10.1021/np400817j
BindingDB Entry DOI: 10.7270/Q23J3GZJ
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50496211
PNG
(CHEMBL3125436)
Show SMILES CC1(C)Oc2ccc3CC(O)COc3c2C=C1 |c:17|
Show InChI InChI=1S/C14H16O3/c1-14(2)6-5-11-12(17-14)4-3-9-7-10(15)8-16-13(9)11/h3-6,10,15H,7-8H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.24E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Hong Kong/1/1968(H3N2)) neuraminidase by chemiluminescence based assay


J Nat Prod 77: 563-70 (2014)


Article DOI: 10.1021/np400817j
BindingDB Entry DOI: 10.7270/Q23J3GZJ
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50496211
PNG
(CHEMBL3125436)
Show SMILES CC1(C)Oc2ccc3CC(O)COc3c2C=C1 |c:17|
Show InChI InChI=1S/C14H16O3/c1-14(2)6-5-11-12(17-14)4-3-9-7-10(15)8-16-13(9)11/h3-6,10,15H,7-8H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.47E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by chemiluminescence based assay


J Nat Prod 77: 563-70 (2014)


Article DOI: 10.1021/np400817j
BindingDB Entry DOI: 10.7270/Q23J3GZJ
More data for this
Ligand-Target Pair