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BDBM50133460 CHEMBL115415::Dimethyl-{2-[5-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indol-3-yl]-ethyl}-amine

SMILES: CN(C)CCc1c[nH]c2ccc(cc12)C1=CCN(C)CC1

InChI Key: InChIKey=RQTZMTMTBWAQAI-UHFFFAOYSA-N

Data: 4 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50133460   
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))
BDBM50133460
PNG
(CHEMBL115415 | Dimethyl-{2-[5-(1-methyl-1,2,3,6-te...)
Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)C1=CCN(C)CC1
Show InChI InChI=1S/C18H25N3/c1-20(2)9-6-16-13-19-18-5-4-15(12-17(16)18)14-7-10-21(3)11-8-14/h4-5,7,12-13,19H,6,8-11H2,1-3H3
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Article
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8n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


Article DOI: 10.1016/s0960-894x(03)00779-0
BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50133460
PNG
(CHEMBL115415 | Dimethyl-{2-[5-(1-methyl-1,2,3,6-te...)
Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)C1=CCN(C)CC1
Show InChI InChI=1S/C18H25N3/c1-20(2)9-6-16-13-19-18-5-4-15(12-17(16)18)14-7-10-21(3)11-8-14/h4-5,7,12-13,19H,6,8-11H2,1-3H3
Reactome pathway
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Article
PubMed
8n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 14: 727-9 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.023
BindingDB Entry DOI: 10.7270/Q2M32V5K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50133460
PNG
(CHEMBL115415 | Dimethyl-{2-[5-(1-methyl-1,2,3,6-te...)
Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)C1=CCN(C)CC1
Show InChI InChI=1S/C18H25N3/c1-20(2)9-6-16-13-19-18-5-4-15(12-17(16)18)14-7-10-21(3)11-8-14/h4-5,7,12-13,19H,6,8-11H2,1-3H3
PDB

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PubMed
610n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 14: 727-9 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.023
BindingDB Entry DOI: 10.7270/Q2M32V5K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50133460
PNG
(CHEMBL115415 | Dimethyl-{2-[5-(1-methyl-1,2,3,6-te...)
Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)C1=CCN(C)CC1
Show InChI InChI=1S/C18H25N3/c1-20(2)9-6-16-13-19-18-5-4-15(12-17(16)18)14-7-10-21(3)11-8-14/h4-5,7,12-13,19H,6,8-11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
610n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


Article DOI: 10.1016/s0960-894x(03)00779-0
BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair