BDBM30704 (phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl]methyl]carbamate::CHEMBL19215::METERGOLINE::MLS000069437::N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl]methyl]carbamic acid (phenylmethyl) ester::N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl]methyl]carbamic acid benzyl ester::SMR000059050::benzyl N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl]methyl]carbamate::cid_28693

SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13

InChI Key InChIKey=WZHJKEUHNJHDLS-UHFFFAOYSA-N

Data  79 KI  1 IC50  1 Kd  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 83 hits for monomerid = 30704   

Target5-hydroxytryptamine receptor 1A(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataEC50:  3.52E+3nMpH: 7.4 T: 2°CAssay Description:A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2009
Entry Details
PCBioAssay
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataIC50: 1.00E+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 1A(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataEC50:  7.5nMAssay Description:Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
TargetHeparanase(Human)
Centro De Investigaci�N Pr�Ncipe Felipe

Curated by ChEMBL
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKd: >1.00E+6nMAssay Description:Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  0.120nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  0.180nMMore 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
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  0.180nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details Article
PubMed
TargetSerotonin 2 (5-HT2) receptor(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  0.300nMAssay Description:Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 (5-HT2) receptor using [3H]KET as a radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2012
Entry Details Article
PubMed
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  0.370nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2012
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  0.470nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/3/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  0.5nMAssay Description:Evaluated for the binding affinity to porcine choroid plexus at 5-hydroxytryptamine 2C receptor binding site by using [3H]-MES as a radioligand.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1D(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  0.600nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1D(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  0.610nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2011
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2C(Pig)
Friedrich-Schiller-University Jena

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  0.630nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  0.710nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/3/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  0.740nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  0.760nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2012
Entry Details
PubMed
Target5-hydroxytryptamine receptor 1D(Rat)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  0.770nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Rhesus macaque)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  0.820nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2012
Entry Details
PubMed
Target5-hydroxytryptamine receptor 1B(Rat)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  0.890nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
TargetSerotonin 2 (5-HT2) receptor(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  1nMAssay Description:Binding affinity to 5-hydroxytryptamine 2 receptor in rat frontal cortical membranes by [3H]- KET displacement.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1D(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  1.10nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/29/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  1.20nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2012
Entry Details
PubMed
Target5-hydroxytryptamine receptor 7(Guinea pig)
Monash University

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  1.58nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Rat)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  1.99nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Rat)
Friedrich-Schiller-University Jena

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
In Depth
Date in BDB:
4/23/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Rat)
Friedrich-Schiller-University Jena

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
In Depth
Date in BDB:
2/25/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Rat)
Friedrich-Schiller-University Jena

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  2.04nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2012
Entry Details
PubMed
Target5-hydroxytryptamine receptor 7(Rat)
Friedrich-Schiller-University Jena

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  2.04nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Bovine)
Stanford University

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  2.30nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/22/2011
Entry Details
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  3.16nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  3.54nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/29/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
In Depth
Date in BDB:
11/22/2011
Entry Details
PubMed
Target5-hydroxytryptamine receptor 1B(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  5.24nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1B(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  5.5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/29/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  6nMAssay Description:Evaluated for the binding affinity to hippocampus striatal membranes at 5-hydroxytryptamine 1A receptor binding site by using [3H]-8-OH- DPAT as a ra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Rat)
Friedrich-Schiller-University Jena

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  6.16nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Rat)
Friedrich-Schiller-University Jena

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  6.21nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2012
Entry Details
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  6.30nMAssay Description:Displacement of [3H]5-HT from recombinant human 5-HT7 receptor expressed in African green monkey COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  6.30nMAssay Description:Non-selective inhibitory activity was determined against 5-hydroxytryptamine 7 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Rat)
Friedrich-Schiller-University Jena

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  6.30nMAssay Description:Binding affinity towards 5-hydroxytryptamine 7 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Guinea pig)
Monash University

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  6.31nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  6.31nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  6.40nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/2/2012
Entry Details
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  6.45nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Rat)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  6.60nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Guinea pig)
Monash University

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  6.91nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1B(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  9.40nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/29/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Rat)
Friedrich-Schiller-University Jena

Curated by PDSP Ki Database
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  10nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30704(METERGOLINE | (phenylmethyl) N-[[(6aR,9S,10aR)-4,7...)
Affinity DataKi:  13nMAssay Description:Inhibition of [3H]- OH-DPAT binding against 5-hydroxytryptamine 1A receptor from human recombinantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2012
Entry Details Article
PubMed
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