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SMILES: COc1cc2C3CC(O)C(CC(C)C)CN3CCc2cc1OCC(F)(F)F

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 8 hits for monomerid = 50573717   
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
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50573717
PNG
(CHEMBL4854730)
Show SMILES COc1cc2C3CC(O)C(CC(C)C)CN3CCc2cc1OCC(F)(F)F
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113718
BindingDB Entry DOI: 10.7270/Q2CN77QJ
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50573717
PNG
(CHEMBL4854730)
Show SMILES COc1cc2C3CC(O)C(CC(C)C)CN3CCc2cc1OCC(F)(F)F
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113718
BindingDB Entry DOI: 10.7270/Q2CN77QJ
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50573717
PNG
(CHEMBL4854730)
Show SMILES COc1cc2C3CC(O)C(CC(C)C)CN3CCc2cc1OCC(F)(F)F
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.51E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113718
BindingDB Entry DOI: 10.7270/Q2CN77QJ
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50573717
PNG
(CHEMBL4854730)
Show SMILES COc1cc2C3CC(O)C(CC(C)C)CN3CCc2cc1OCC(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113718
BindingDB Entry DOI: 10.7270/Q2CN77QJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50573717
PNG
(CHEMBL4854730)
Show SMILES COc1cc2C3CC(O)C(CC(C)C)CN3CCc2cc1OCC(F)(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113718
BindingDB Entry DOI: 10.7270/Q2CN77QJ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50573717
PNG
(CHEMBL4854730)
Show SMILES COc1cc2C3CC(O)C(CC(C)C)CN3CCc2cc1OCC(F)(F)F
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113718
BindingDB Entry DOI: 10.7270/Q2CN77QJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens)
BDBM50573717
PNG
(CHEMBL4854730)
Show SMILES COc1cc2C3CC(O)C(CC(C)C)CN3CCc2cc1OCC(F)(F)F
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113718
BindingDB Entry DOI: 10.7270/Q2CN77QJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50573717
PNG
(CHEMBL4854730)
Show SMILES COc1cc2C3CC(O)C(CC(C)C)CN3CCc2cc1OCC(F)(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113718
BindingDB Entry DOI: 10.7270/Q2CN77QJ
More data for this
Ligand-Target Pair