BDBM50031942 (6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-hydroxymethyl-propyl)-amide::(6aR,9R)-4,7-Dimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid ((S)-1-hydroxymethyl-propyl)-amide::(6aR,9R)-4-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-hydroxymethyl-propyl)-amide::(6aR,9R)-5,7-Dimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid diethylamide::(methylsergide)4,7-Dimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-hydroxymethyl-propyl)-amide::4,7-Dimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-hydroxymethyl-propyl)-amide::CHEMBL1065::METHYSERGIDE::Sansert

SMILES CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C

InChI Key InChIKey=KPJZHOPZRAFDTN-UHFFFAOYSA-N

Data  122 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 124 hits for monomerid = 50031942   

TargetSigma non-opioid intracellular receptor 1(Human)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataIC50: 912nMAssay Description:The compound was tested for affinity towards sigma-3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataIC50: 3.31E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2019
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
Vernalis Research

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  0.360nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  0.420nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
Vernalis Research

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  0.640nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/3/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Rat)
Albany Medical College

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  0.800nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Rat)
Albany Medical College

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  0.800nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/17/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  0.950nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Rat)
Albany Medical College

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
In Depth
Date in BDB:
3/28/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Rat)
Albany Medical College

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
In Depth
Date in BDB:
4/17/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Rat)
Albany Medical College

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  1.02nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  1.07nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  1.30nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2012
Entry Details Article
PubMed
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  1.40nMAssay Description:Tested for the binding affinity towards 5-HT2 receptor measured by [3H]ketanserin binding to frontal cerebral cortex membranes of ratMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/16/2018
Entry Details

Target5-hydroxytryptamine receptor 2B(Human)
Vernalis Research

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  1.51nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/3/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  1.58nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  1.58nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Angelini Santa Palomba Research Center

Curated by ChEMBL
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  1.58nMAssay Description:Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
Vernalis Research

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  1.59nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2012
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  1.60nMAssay Description:Binding affinity to 5-hydroxytryptamine 2A receptor from rat cortex assayed using [3H]ketanserin as radioligand.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
Vernalis Research

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  1.65nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Rat)
Albany Medical College

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  1.80nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/25/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Rat)
Albany Medical College

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  1.99nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Angelini Santa Palomba Research Center

Curated by ChEMBL
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  2.45nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  2.5nMAssay Description:Displacement of [N-methyl-3H]LSD from human 5HT2C receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Pig)
Friedrich-Schiller-University Jena

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  2.51nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Angelini Santa Palomba Research Center

Curated by ChEMBL
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  3.31nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1B(Human)
Synaptic Pharmaceutical

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  3.60nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1D(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  3.63nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Angelini Santa Palomba Research Center

Curated by ChEMBL
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  3.98nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Angelini Santa Palomba Research Center

Curated by ChEMBL
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  3.98nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Angelini Santa Palomba Research Center

Curated by ChEMBL
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  3.98nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine 1D receptor(Bovine)
Synaptic Pharmaceutical

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
In Depth
Date in BDB:
11/10/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  4.47nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2012
Entry Details Article
PubMed
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  6.28nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2012
Entry Details
PubMed
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  6.30nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1F(Mouse)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  6.30nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  6.30nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  6.31nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  6.66nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/23/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1B(Human)
Synaptic Pharmaceutical

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  7.58nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1D(Dog)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  7.76nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
Vernalis Research

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  7.94nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
Vernalis Research

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  7.94nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine 1D receptor(Bovine)
Synaptic Pharmaceutical

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  8.80nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/22/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
Vernalis Research

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  9.10nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/25/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Angelini Santa Palomba Research Center

Curated by ChEMBL
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  10nMAssay Description:Displacement of [N-methyl-3H]LSD from human 5HT2A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Rat)
National Institute of Neurological Disorders and Stroke

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  12.5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2012
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2B(Mouse)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  12.6nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Rat)
National Institute of Neurological Disorders and Stroke

Curated by PDSP Ki Database
LigandPNGBDBM50031942(CHEMBL1065 | Sansert | (6aR,9R)-4-Methyl-4,6,6a,7,...)
Affinity DataKi:  12.6nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
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