BDBM50033437 CHEMBL905::MK 462 free base::N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]-ethanamine::N,N-dimethyl-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine::N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indole-3-ethanamine::RIZATRIPTAN::risatriptan

SMILES CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12

InChI Key InChIKey=ULFRLSNUDGIQQP-UHFFFAOYSA-N

Data  6 KI  23 IC50  2 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 31 hits for monomerid = 50033437   

Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataKi:  4.30nMAssay Description:In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataKi:  10.1nMAssay Description:In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataKi:  14nMAssay Description:Binding affinity to recombinant human 5-hydroxytryptamine 1D receptor alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataKi:  40nMAssay Description:Binding affinity for cloned human 5-hydroxytryptamine 1D receptor betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataKi:  140nMAssay Description:In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataKi:  293nMAssay Description:Binding affinity for cloned human 5-hydroxytryptamine 1A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50:  41nMAssay Description:Binding affinity to human cloned 5-hydroxytryptamine 1B receptor in CHO cells by [3H]-5-HT binding displacement.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataEC50:  3nMAssay Description:Ability to inhibit forskolin-stimulated adenylate cyclase in a cell line expressing human 5-hydroxytryptamine 1D receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))TBA
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50:  7.30E+3nMAssay Description:Compound was tested for its ability to displace [3H]mesulergine from 5-hydroxytryptamine 2C receptor in pig cortexMore data for this Ligand-Target Pair
In DepthDetails
Target5-hydroxytryptamine receptor 1D(Sus scrofa)TBA
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50:  49nMAssay Description:Compound was tested for its ability to displace [3H]-5-HT binding to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranesMore data for this Ligand-Target Pair
In DepthDetails
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50:  320nMAssay Description:Compound was tested for its ability to displace [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor in pig cortexMore data for this Ligand-Target Pair
In DepthDetails
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))TBA
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50:  7.20E+3nMAssay Description:Compound was tested for its ability to displace [3H]DOB from 5-hydroxytryptamine 2A receptor in rat cortex homogenatesMore data for this Ligand-Target Pair
In DepthDetails
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50:  7.94E+3nMAssay Description:Binding activity against 5-hydroxytryptamine 2C receptor from human brain cortex using [3H]mesulergine as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50:  316nMAssay Description:Binding activity against 5-hydroxytryptamine 1A receptor from pig cortex membrane using [3H]8-OH-DPAT-HT as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1D(Sus scrofa)TBA
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50:  50.1nMAssay Description:Binding activity against 5-hydroxytryptamine 2C receptor from human brain cortex using [3H]mesulergine as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50:  79.4nMAssay Description:Binding activity against 5-hydroxytryptamine 3 receptor from rat cortex homogenate using [3H]-Q-ICS 205-930 as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))TBA
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50:  6.31E+3nMAssay Description:Binding activity against 5-hydroxytryptamine 2C receptor from pig cortex membrane using [3H]mesulergine as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))TBA
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50: >1.00E+4nMAssay Description:Binding activity against 5-hydroxytryptamine 2C receptor from human brain cortex using [3H]mesulergine as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)TBA
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50:  4.10E+3nMAssay Description:Compound was tested for its ability to displace [3H]-Q-ICS 205-930 from 5-hydroxytryptamine 3 receptor in rat cortex homogenatesMore data for this Ligand-Target Pair
In DepthDetails
Target5-hydroxytryptamine receptor 1D(Sus scrofa)TBA
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50:  16nMAssay Description:Compound was tested for its ability to displace [125I]GTI binding to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranesMore data for this Ligand-Target Pair
In DepthDetails
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataEC50:  8.40nMAssay Description:Measurement of agonist induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50:  11nMAssay Description:Binding affinity by displacement to human cloned 5-hydroxytryptamine 1D receptor in CHO cells by [3H]-5-HT displacement.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)TBA
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50:  3.98E+3nMAssay Description:Binding activity radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))TBA
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50: >1.00E+4nMAssay Description:Binding activity against 5-hydroxytryptamine 2C receptor from human brain cortex using [3H]mesulergine as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUracil nucleotide/cysteinyl leukotriene receptor(Homo sapiens (Human))
Sultan Qaboos University

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50: >3.00E+4nMAssay Description:Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of MDL 29,951-induced calcium mobilization after 1 hr by Or...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50:  398nMAssay Description:Binding activity against 5-hydroxytryptamine 3 receptor from rat cortex homogenate using [3H]-Q-ICS 205-930 as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 3A/3B/3C/3D/3E(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50033437(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Affinity DataIC50: >1.00E+4nMAssay Description:Binding activity against 5-hydroxytryptamine 1A receptor from human brain cortex using [3H]8-OH-DPAT-HT as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed