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BDBM50412122 CHEMBL495161

SMILES: CC(=O)Nc1ccccc1CN1CCN(CCOc2cccc3nc(C)ccc23)CC1

InChI Key: InChIKey=AFWLIBPUJKVHTI-UHFFFAOYSA-N

Data: 4 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50412122   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412122
PNG
(CHEMBL495161)
Show SMILES CC(=O)Nc1ccccc1CN1CCN(CCOc2cccc3nc(C)ccc23)CC1
Show InChI InChI=1S/C25H30N4O2/c1-19-10-11-22-24(26-19)8-5-9-25(22)31-17-16-28-12-14-29(15-13-28)18-21-6-3-4-7-23(21)27-20(2)30/h3-11H,12-18H2,1-2H3,(H,27,30)
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50412122
PNG
(CHEMBL495161)
Show SMILES CC(=O)Nc1ccccc1CN1CCN(CCOc2cccc3nc(C)ccc23)CC1
Show InChI InChI=1S/C25H30N4O2/c1-19-10-11-22-24(26-19)8-5-9-25(22)31-17-16-28-12-14-29(15-13-28)18-21-6-3-4-7-23(21)27-20(2)30/h3-11H,12-18H2,1-2H3,(H,27,30)
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1.26E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY100635 from human recombinant 5HT1A receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50412122
PNG
(CHEMBL495161)
Show SMILES CC(=O)Nc1ccccc1CN1CCN(CCOc2cccc3nc(C)ccc23)CC1
Show InChI InChI=1S/C25H30N4O2/c1-19-10-11-22-24(26-19)8-5-9-25(22)31-17-16-28-12-14-29(15-13-28)18-21-6-3-4-7-23(21)27-20(2)30/h3-11H,12-18H2,1-2H3,(H,27,30)
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PubMed
1.59E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human recombinant 5HT1B receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50412122
PNG
(CHEMBL495161)
Show SMILES CC(=O)Nc1ccccc1CN1CCN(CCOc2cccc3nc(C)ccc23)CC1
Show InChI InChI=1S/C25H30N4O2/c1-19-10-11-22-24(26-19)8-5-9-25(22)31-17-16-28-12-14-29(15-13-28)18-21-6-3-4-7-23(21)27-20(2)30/h3-11H,12-18H2,1-2H3,(H,27,30)
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1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT uptake at SERT in rat cortical synaptosomes


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair