BDBM50034330 (3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole::(3aR,9bS)-3-allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole::(3aS,9bR) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole::(Recemic) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole::CHEMBL26118

SMILES COc1cccc2CC[C@@H]3[C@@H](CCN3CC=C)c12

InChI Key InChIKey=VRRJFCMGNMFNOE-ZIAGYGMSSA-N

Data  12 KI  1 IC50

  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 13 hits for monomerid = 50034330   

Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50034330((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...)
Affinity DataKi:  0.200nMAssay Description:Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Mus musculus (Mouse))
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50034330((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...)
Affinity DataKi:  0.400nMAssay Description:Compound was evaluated for the binding affinity against [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in cloned CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50034330((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...)
Affinity DataKi:  1.20nMAssay Description:Binding affinity against [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampusMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50034330((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...)
Affinity DataKi:  7nMAssay Description:Compound was evaluated for the binding affinity against [3H]U-86,170-labeled dopamine receptor D2 in rat striatumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50034330((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...)
Affinity DataKi:  49nMAssay Description:Tested for activity against 5-hydroxytryptamine 1A receptor from bovine hippocampusMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50034330((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...)
Affinity DataKi:  74nMAssay Description:Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50034330((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...)
Affinity DataKi:  74nMAssay Description:Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50034330((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...)
Affinity DataKi:  77nMAssay Description:Compound was tested for agonistic activity against D2 receptor from cloned CHO cells, used [3H]U-86170 as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50034330((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...)
Affinity DataKi:  77nMAssay Description:Compound was tested for agonistic activity against D2 receptor from cloned CHO cells, used [3H]U-86170 as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50034330((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...)
Affinity DataKi:  77nMAssay Description:Compound was tested for agonistic activity against D2 receptor from cloned CHO cells, used [3H]U-86170 as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50034330((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...)
Affinity DataKi:  270nMAssay Description:Compound was tested for antagonistic activity against D2 receptor from rat striatum, used [3H]raclopride as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50034330((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...)
Affinity DataKi:  270nMAssay Description:Compound was tested for antagonistic activity against D2 receptor from rat striatum, used [3H]raclopride as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50034330((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibitory concentration against [3H]-raclopride-labeled dopamine receptor D2 in rat striatumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed