BDBM50027065 (5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione::(5'alpha)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman::12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione::ERGOTAMINE::Ergotamin

SMILES C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C

InChI Key InChIKey=XCGSFFUVFURLIX-UHFFFAOYSA-N

Data  65 KI  3 IC50

PDB links: 6 PDB IDs match this monomer.

  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 68 hits for monomerid = 50027065   

TargetCholecystokinin receptor type A(Mouse)
TBA

Curated by ChEMBL
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataIC50: 3.40E+4nMAssay Description:Concentration of compound required to inhibit binding of [125I]J-BH-CCK-8 radioligand to CCKA in mouse pancreatic membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2012
Entry Details Article

TargetAdenylate cyclase(Spirulina platensis)
Ruhr-University Bochum

Curated by ChEMBL
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataIC50: 7.00E+4nMAssay Description:Inhibition of Spirulina platensis adenylyl cyclase assessed as cAMP level by cAMP immunogenic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2012
Entry Details Article
PubMed
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataIC50: 1.70E+4nMAssay Description:Concentration of compound required to inhibit binding of [125I]J-BH-CCK-8 radioligand to CCKB in mouse fore brain membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2012
Entry Details Article

Target5-hydroxytryptamine receptor 1B(Rat)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  0.0300nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1D(Rat)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  0.0700nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  0.640nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1D(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  0.800nMAssay Description:Compound was evaluated for its binding affinity towards 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 1D receptor(Bovine)
Albany Medical College

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  0.900nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/22/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  1.41nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Bovine)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  1.80nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2011
Entry Details
PubMed
Target5-hydroxytryptamine receptor 1D(Dog)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  1.94nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1B(Human)
Qatar University

Curated by ChEMBL
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  2.10nMAssay Description:Displacement of [3H]carboxytryptamine from recombinant human 5-HT1B receptor expressed in HEK cells by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Rat)
F. Hoffmann-La Roche

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  2.34nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/29/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Rat)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  2.45nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details Article
PubMed
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
In Depth
Date in BDB:
4/25/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Rat)
The Scripps Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
In Depth
Date in BDB:
2/9/2012
Entry Details Article
PubMed
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  3.16nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2012
Entry Details
PubMed
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  3.16nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
TargetAlpha-2C adrenergic receptor(Rat)
Janssen Pharmaceutica

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  3.5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2011
Entry Details Article
PubMed
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  3.54nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details Article
PubMed
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  3.98nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2011
Entry Details
PubMed
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  3.98nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2012
Entry Details
PubMed
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  3.98nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
TargetAlpha-2C adrenergic receptor(Rat)
Janssen Pharmaceutica

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
In Depth
Date in BDB:
12/26/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1D(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  4.30nMAssay Description:Displacement of [3H]GR125743 from recombinant human 5-HT1D receptor expressed in HEK cells by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1D(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  6nMAssay Description:Displacement of [3H]5-carboximidotryptamine from 5-HT1D receptor after 1.5 hrs by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetAlpha-2C adrenergic receptor(Rat)
Janssen Pharmaceutica

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  6.30nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 5A(Rat)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  6.30nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  6.30nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 5B(Rat)
The Scripps Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  6.30nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/24/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
In Depth
Date in BDB:
4/25/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  9.77nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details Article
PubMed
TargetAlpha-2C adrenergic receptor(Rat)
Janssen Pharmaceutica

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  12nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Rat)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  12nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/25/2012
Entry Details Article
PubMed
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  12nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2011
Entry Details
PubMed
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  12nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2011
Entry Details
PubMed
Target5-hydroxytryptamine receptor 5A(Human)
University of South Florida

Curated by ChEMBL
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  14nMAssay Description:Displacement of [3H]LSD from 5-HT5A receptor after 1.5 hrs by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 5A(Rat)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  15.7nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/24/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 5B(Rat)
The Scripps Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  15.8nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  16nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2011
Entry Details Article
PubMed
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  16nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2011
Entry Details Article
PubMed
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  17nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2012
Entry Details Article
PubMed
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  17.4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 5A(Human)
University of South Florida

Curated by ChEMBL
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  22nMAssay Description:Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 5A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  25nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2011
Entry Details Article
PubMed
TargetD(1A) dopamine receptor(Bovine)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  30nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2011
Entry Details
PubMed
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  38nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 5A(Human)
University of South Florida

Curated by ChEMBL
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  40nMAssay Description:Binding affinity for rodent 5-hydroxytryptamine 5A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Guinea pig)
Syntex Discovery Research

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  49.0nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Mouse)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50027065(12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergota...)
Affinity DataKi:  50.1nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Displayed 1 to 50 (of 68 total ) | Next | Last >>