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BDBM50133464 3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-5-[1-(toluene-4-sulfonyl)-1,2,3,6-tetrahydro-pyridin-4-yl]-1H-indole::CHEMBL116876

SMILES: CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)S(=O)(=O)c1ccc(C)cc1

InChI Key: InChIKey=HYMUMQCDNRZVGH-HSZRJFAPSA-N

Data: 2 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50133464   
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))
BDBM50133464
PNG
(3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-5-[1-(tolue...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)S(=O)(=O)c1ccc(C)cc1 |t:19|
Show InChI InChI=1S/C26H31N3O2S/c1-19-5-8-24(9-6-19)32(30,31)29-14-11-20(12-15-29)21-7-10-26-25(17-21)22(18-27-26)16-23-4-3-13-28(23)2/h5-11,17-18,23,27H,3-4,12-16H2,1-2H3/t23-/m1/s1
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CHEMBL
PC cid
PC sid
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Similars

PubMed
0.800n/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)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50133464
PNG
(3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-5-[1-(tolue...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)S(=O)(=O)c1ccc(C)cc1 |t:19|
Show InChI InChI=1S/C26H31N3O2S/c1-19-5-8-24(9-6-19)32(30,31)29-14-11-20(12-15-29)21-7-10-26-25(17-21)22(18-27-26)16-23-4-3-13-28(23)2/h5-11,17-18,23,27H,3-4,12-16H2,1-2H3/t23-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
17n/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)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair