BindingDB logo
myBDB logout

null

SMILES: CC(N)C1(CCCCC1)c1ccc(OC(C)(C)C)cc1

InChI Key: InChIKey=HULJRWTYZFVYPA-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 3 hits for monomerid = 50337906   
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))
BDBM50337906
PNG
(1-(1-(4-tert-butoxyphenyl)cyclohexyl)ethanamine | ...)
Show SMILES CC(N)C1(CCCCC1)c1ccc(OC(C)(C)C)cc1
Show InChI InChI=1S/C18H29NO/c1-14(19)18(12-6-5-7-13-18)15-8-10-16(11-9-15)20-17(2,3)4/h8-11,14H,5-7,12-13,19H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.10E+3n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human recombinant SERT expressed in LLC-PK1 cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 1434-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.019
BindingDB Entry DOI: 10.7270/Q2CV4J2P
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50337906
PNG
(1-(1-(4-tert-butoxyphenyl)cyclohexyl)ethanamine | ...)
Show SMILES CC(N)C1(CCCCC1)c1ccc(OC(C)(C)C)cc1
Show InChI InChI=1S/C18H29NO/c1-14(19)18(12-6-5-7-13-18)15-8-10-16(11-9-15)20-17(2,3)4/h8-11,14H,5-7,12-13,19H2,1-4H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.52E+3n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human human recombinant DAT expressed in COS-7 cells by scintillation counting


Bioorg Med Chem Lett 21: 1434-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.019
BindingDB Entry DOI: 10.7270/Q2CV4J2P
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50337906
PNG
(1-(1-(4-tert-butoxyphenyl)cyclohexyl)ethanamine | ...)
Show SMILES CC(N)C1(CCCCC1)c1ccc(OC(C)(C)C)cc1
Show InChI InChI=1S/C18H29NO/c1-14(19)18(12-6-5-7-13-18)15-8-10-16(11-9-15)20-17(2,3)4/h8-11,14H,5-7,12-13,19H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human human recombinant NET expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 21: 1434-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.019
BindingDB Entry DOI: 10.7270/Q2CV4J2P
More data for this
Ligand-Target Pair