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BDBM50209176 4-(1H-indol-3-yl)-N,N-dimethylcyclohex-3-enamine::CHEMBL231809

SMILES: CN(C)C1CCC(=CC1)c1c[nH]c2ccccc12

InChI Key: InChIKey=OLBSGDZXLHSPOR-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50209176   
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))
BDBM50209176
PNG
(4-(1H-indol-3-yl)-N,N-dimethylcyclohex-3-enamine |...)
Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H20N2/c1-18(2)13-9-7-12(8-10-13)15-11-17-16-6-4-3-5-14(15)16/h3-7,11,13,17H,8-10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3099-104 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.040
BindingDB Entry DOI: 10.7270/Q2QN66F8
More data for this
Ligand-Target Pair