BDBM50412122 CHEMBL495161

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

InChI Key InChIKey=AFWLIBPUJKVHTI-UHFFFAOYSA-N

Data  4 KI

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50412122   

Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50412122(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)
Affinity DataKi:  5nMAssay Description:Displacement of [3H]5HT from human recombinant 5HT1D receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50412122(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)
Affinity DataKi:  1.26E+3nMAssay Description:Displacement of [3H]WAY100635 from human recombinant 5HT1A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50412122(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)
Affinity DataKi:  1.59E+3nMAssay Description:Displacement of [3H]5HT from human recombinant 5HT1B receptorMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50412122(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)
Affinity DataKi:  1.00E+4nMAssay Description:Inhibition of [3H]5HT uptake at SERT in rat cortical synaptosomesMore data for this Ligand-Target Pair