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BDBM50073682 CHEMBL1278::N-methyl-2-(3-(1-methylpiperiden-4-yl)indole-5-yl)ethanesulfonamide::N-methyl-2-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]-ethanesulfonamide::N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide::NARATRIPTAN

SMILES: CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1

InChI Key: InChIKey=AMKVXSZCKVJAGH-UHFFFAOYSA-N

Data: 6 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50073682   
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 1D


(Homo sapiens (Human))
BDBM50073682
PNG
(CHEMBL1278 | N-methyl-2-(3-(1-methylpiperiden-4-yl...)
Show SMILES CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
Show InChI InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)


Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073682
PNG
(CHEMBL1278 | N-methyl-2-(3-(1-methylpiperiden-4-yl...)
Show SMILES CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
Show InChI InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50073682
PNG
(CHEMBL1278 | N-methyl-2-(3-(1-methylpiperiden-4-yl...)
Show SMILES CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
Show InChI InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
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3.30n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50073682
PNG
(CHEMBL1278 | N-methyl-2-(3-(1-methylpiperiden-4-yl...)
Show SMILES CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
Show InChI InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
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5.10n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)


Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50073682
PNG
(CHEMBL1278 | N-methyl-2-(3-(1-methylpiperiden-4-yl...)
Show SMILES CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
Show InChI InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
PDB

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Article
PubMed
9.40n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)


Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50073682
PNG
(CHEMBL1278 | N-methyl-2-(3-(1-methylpiperiden-4-yl...)
Show SMILES CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
Show InChI InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
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45n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073682
PNG
(CHEMBL1278 | N-methyl-2-(3-(1-methylpiperiden-4-yl...)
Show SMILES CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
Show InChI InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
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n/an/an/an/a 1.60n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to inhibit forskolin-stimulated adenylate cyclase in a cell line expressing human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair