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SMILES: CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CNC(=O)c3c2C1

InChI Key: InChIKey=LBJTUHVRXHPERP-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50305105   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50305105
PNG
((+/-)-8-(ethyl(3-(5-fluoro-1H-indol-3-yl)propyl)am...)
Show SMILES CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CNC(=O)c3c2C1
Show InChI InChI=1S/C24H26FN3O2/c1-2-28(9-3-4-15-12-26-21-7-6-17(25)10-19(15)21)18-11-20-22(30-14-18)8-5-16-13-27-24(29)23(16)20/h5-8,10,12,18,26H,2-4,9,11,13-14H2,1H3,(H,27,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]OH-DPAP from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 222-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.134
BindingDB Entry DOI: 10.7270/Q26Q1XC6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50305105
PNG
((+/-)-8-(ethyl(3-(5-fluoro-1H-indol-3-yl)propyl)am...)
Show SMILES CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CNC(=O)c3c2C1
Show InChI InChI=1S/C24H26FN3O2/c1-2-28(9-3-4-15-12-26-21-7-6-17(25)10-19(15)21)18-11-20-22(30-14-18)8-5-16-13-27-24(29)23(16)20/h5-8,10,12,18,26H,2-4,9,11,13-14H2,1H3,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of labeled paroxetine from 5-HT transporter


Bioorg Med Chem Lett 20: 222-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.134
BindingDB Entry DOI: 10.7270/Q26Q1XC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50305105
PNG
((+/-)-8-(ethyl(3-(5-fluoro-1H-indol-3-yl)propyl)am...)
Show SMILES CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CNC(=O)c3c2C1
Show InChI InChI=1S/C24H26FN3O2/c1-2-28(9-3-4-15-12-26-21-7-6-17(25)10-19(15)21)18-11-20-22(30-14-18)8-5-16-13-27-24(29)23(16)20/h5-8,10,12,18,26H,2-4,9,11,13-14H2,1H3,(H,27,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 28n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in CHO cells assessed as inhibition of forskolin-induced adenylate cyclase activity


Bioorg Med Chem Lett 20: 222-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.134
BindingDB Entry DOI: 10.7270/Q26Q1XC6
More data for this
Ligand-Target Pair