BDBM50103594 CHEBI:50922::Eletriptan::UK-116044::UK-116044-04::UK-116044-04 [As Hydrobromide)

SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12

InChI Key InChIKey=PWVXXGRKLHYWKM-LJQANCHMSA-N

Data  1 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50103594   

Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50103594(CHEBI:50922 | Eletriptan | UK-116044 | UK-116044-0...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1
Affinity DataEC50:  12nMAssay Description:Agonist activity at 5-HT1B receptor (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 2J2(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50103594(CHEBI:50922 | Eletriptan | UK-116044 | UK-116044-0...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair