BDBM50065420 3-(2-Fluoro-3-{4-[2-(3-fluoro-phenyl)-ethyl]-piperazin-1-yl}-propyl)-5-[1,2,4]triazol-4-yl-1H-indole::CHEMBL63432

SMILES FC(CN1CCN(CCc2cccc(F)c2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1

InChI Key InChIKey=ZIULJQIKRKMJNZ-UHFFFAOYSA-N

Data  3 IC50  3 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 6 hits for monomerid = 50065420   

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

Curated by ChEMBL
LigandPNGBDBM50065420(3-(2-Fluoro-3-{4-[2-(3-fluoro-phenyl)-ethyl]-piper...)
Affinity DataEC50:  4.40nMAssay Description:Agonist induced [35S]GTP-gamma-S, binding in CHO cells expressing 5-HT 1d receptorMore 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 & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50065420(3-(2-Fluoro-3-{4-[2-(3-fluoro-phenyl)-ethyl]-piper...)
Affinity DataIC50: 1.00E+3nMAssay Description:Displacement of specific [3H]5-HT binding to cloned human 5-hydroxytryptamine 1B receptor 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 1D(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50065420(3-(2-Fluoro-3-{4-[2-(3-fluoro-phenyl)-ethyl]-piper...)
Affinity DataIC50: 5.10nMAssay Description:Displacement of specific [3H]5-HT binding to cloned human 5-hydroxytryptamine 1D receptor 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 1D(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50065420(3-(2-Fluoro-3-{4-[2-(3-fluoro-phenyl)-ethyl]-piper...)
Affinity DataIC50: 3.70nMAssay Description:Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor 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 1D(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50065420(3-(2-Fluoro-3-{4-[2-(3-fluoro-phenyl)-ethyl]-piper...)
Affinity DataEC50:  3.80nMAssay Description:Agonist-induced [35S]GTP-gamma-S, binding in CHO cells stably transfected with human 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 1B(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50065420(3-(2-Fluoro-3-{4-[2-(3-fluoro-phenyl)-ethyl]-piper...)
Affinity DataEC50:  810nMAssay Description:Agonist-induced [35S]GTP-gamma-S, binding in CHO cells stably transfected with human 5-hydroxytryptamine 1B receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed