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BDBM50371815 CHEMBL402116

SMILES: CNC[C@H]1CCCC[C@]1(OC)c1cccc(O)c1

InChI Key: InChIKey=OSJBPKOZISTQCO-HIFRSBDPSA-N

Data: 6 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 6 hits for monomerid = 50371815   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50371815
PNG
(CHEMBL402116)
Show SMILES CNC[C@H]1CCCC[C@]1(OC)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,18-2)12-7-5-8-14(17)10-12/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.26E+3n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of SERT mediated 5-hydroxytryptamine uptake


Bioorg Med Chem Lett 18: 1674-80 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.051
BindingDB Entry DOI: 10.7270/Q2VQ33HQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50371815
PNG
(CHEMBL402116)
Show SMILES CNC[C@H]1CCCC[C@]1(OC)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,18-2)12-7-5-8-14(17)10-12/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 122n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


Bioorg Med Chem Lett 18: 1674-80 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.051
BindingDB Entry DOI: 10.7270/Q2VQ33HQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50371815
PNG
(CHEMBL402116)
Show SMILES CNC[C@H]1CCCC[C@]1(OC)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,18-2)12-7-5-8-14(17)10-12/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


Bioorg Med Chem Lett 18: 1674-80 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.051
BindingDB Entry DOI: 10.7270/Q2VQ33HQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50371815
PNG
(CHEMBL402116)
Show SMILES CNC[C@H]1CCCC[C@]1(OC)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,18-2)12-7-5-8-14(17)10-12/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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UniProtKB/TrEMBL

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PC cid
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of NET mediated norepinephrine uptake


Bioorg Med Chem Lett 18: 1674-80 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.051
BindingDB Entry DOI: 10.7270/Q2VQ33HQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50371815
PNG
(CHEMBL402116)
Show SMILES CNC[C@H]1CCCC[C@]1(OC)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,18-2)12-7-5-8-14(17)10-12/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.25E+3n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of NET mediated norepinephrine uptake


Bioorg Med Chem Lett 18: 1674-80 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.051
BindingDB Entry DOI: 10.7270/Q2VQ33HQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50371815
PNG
(CHEMBL402116)
Show SMILES CNC[C@H]1CCCC[C@]1(OC)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,18-2)12-7-5-8-14(17)10-12/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.92E+3n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of SERT mediated 5-hydroxytryptamine uptake


Bioorg Med Chem Lett 18: 1674-80 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.051
BindingDB Entry DOI: 10.7270/Q2VQ33HQ
More data for this
Ligand-Target Pair