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SMILES: COc1cc2c3CC4CCC[N+]4([O-])Cc3c3cc(OC)c(OC)cc3c2cc1OC

InChI Key:

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 = 648431   
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
Replicase polyprotein 1ab


(HCoV-OC43)
BDBM648431
PNG
(US20240033256, Compound 6)
Show SMILES COc1cc2c3CC4CCC[N+]4([O-])Cc3c3cc(OC)c(OC)cc3c2cc1OC
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 1.89E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Genome polyprotein


(DENV-2)
BDBM648431
PNG
(US20240033256, Compound 6)
Show SMILES COc1cc2c3CC4CCC[N+]4([O-])Cc3c3cc(OC)c(OC)cc3c2cc1OC
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 2.64E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Genome polyprotein


(DENV-1)
BDBM648431
PNG
(US20240033256, Compound 6)
Show SMILES COc1cc2c3CC4CCC[N+]4([O-])Cc3c3cc(OC)c(OC)cc3c2cc1OC
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 1.64E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Genome polyprotein


(Zika virus)
BDBM648431
PNG
(US20240033256, Compound 6)
Show SMILES COc1cc2c3CC4CCC[N+]4([O-])Cc3c3cc(OC)c(OC)cc3c2cc1OC
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 1.04E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair