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BDBM50160612 CHEMBL362823::[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-ethyl]-[4-(5-fluoro-1H-indol-3-yl)-cyclohexyl]-amine

SMILES: Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCCOc3cccc4OCCOc34)c2c1

InChI Key: InChIKey=RHNPGMRUWOQALX-SAABIXHNSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50160612   
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


(Rattus norvegicus (rat))
BDBM50160612
PNG
(CHEMBL362823 | [2-(2,3-Dihydro-benzo[1,4]dioxin-5-...)
Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCCOc3cccc4OCCOc34)c2c1
Show InChI InChI=1S/C24H27FN2O3/c25-17-6-9-21-19(14-17)20(15-27-21)16-4-7-18(8-5-16)26-10-11-28-22-2-1-3-23-24(22)30-13-12-29-23/h1-3,6,9,14-16,18,26-27H,4-5,7-8,10-13H2/t16-,18-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.05n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity determined against Serotonin transporter determined bydisplacement of [3H]-paroxetine from rat cortical membranes


Bioorg Med Chem Lett 15: 911-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.064
BindingDB Entry DOI: 10.7270/Q2VD6XZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50160612
PNG
(CHEMBL362823 | [2-(2,3-Dihydro-benzo[1,4]dioxin-5-...)
Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCCOc3cccc4OCCOc34)c2c1
Show InChI InChI=1S/C24H27FN2O3/c25-17-6-9-21-19(14-17)20(15-27-21)16-4-7-18(8-5-16)26-10-11-28-22-2-1-3-23-24(22)30-13-12-29-23/h1-3,6,9,14-16,18,26-27H,4-5,7-8,10-13H2/t16-,18-
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18.9n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity determined against human 5-hydroxytryptamine 1A receptors transfected into CHO cells.


Bioorg Med Chem Lett 15: 911-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.064
BindingDB Entry DOI: 10.7270/Q2VD6XZH
More data for this
Ligand-Target Pair