BDBM50074178 (1-Methyl-1-phenyl-ethyl)-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-ylmethyl}-amine::CHEMBL164046

SMILES CC(C)(NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1

InChI Key InChIKey=RKAKHLWCVBGMID-UHFFFAOYSA-N

Data  3 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50074178   

Target5-hydroxytryptamine receptor 1D(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50074178((1-Methyl-1-phenyl-ethyl)-{(S)-1-[2-(5-[1,2,4]tria...)
Affinity DataEC50:  0.300nMAssay Description:Stimulation of [35S]GTP-gamma-S, binding in CHO cells expressing the 5-hydroxytryptamine 1D receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1D(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50074178((1-Methyl-1-phenyl-ethyl)-{(S)-1-[2-(5-[1,2,4]tria...)
Affinity DataIC50: 1nMAssay Description:Displacement of [3H]5-HT binding from the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1B(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50074178((1-Methyl-1-phenyl-ethyl)-{(S)-1-[2-(5-[1,2,4]tria...)
Affinity DataIC50: 39nMAssay Description:Displacement of [3H]5-HT binding from the cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50074178((1-Methyl-1-phenyl-ethyl)-{(S)-1-[2-(5-[1,2,4]tria...)
Affinity DataIC50: 7nMAssay Description:Inhibition of SDF-1 binding to CXCR4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed