BDBM50017543 (6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-7-ium::(6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline::5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide::9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-7-ium(Pergolide)::9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline::9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline(pergolide)::9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline, mesylate (Pergolide)::CHEMBL531::PERGOLIDE::Permax::[2-(1H-Indol-4-yl)-ethyl]-methyl-amine::cid_47811

SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13

InChI Key InChIKey=YEHCICAEULNIGD-MZMPZRCHSA-N

Data  8 KI  21 IC50  4 Kd  3 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 13 hits for monomerid = 50017543   

LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  170nMAssay Description:Binding affinity against Dihydrofolate reductase of rat liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMetalloproteinase inhibitor 3(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  140nMAssay Description:Binding affinity against Dihydrofolate reductase of rat liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  550nMAssay Description:Binding affinity against Dihydrofolate reductase Inhibitor of chicken liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetD(1A)/D(2) dopamine receptor(BOVINE)
TBA

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  18nMAssay Description:Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase using 10 uM qBH2 and 50 uM NADH assaysMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMetalloproteinase inhibitor 3(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  385nMAssay Description:In vitro inhibitory activity against serotonin receptor from whole rat brain using [3H]5-HT as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A)/D(2) dopamine receptor(BOVINE)
TBA

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  145nMAssay Description:In vitro inhibitory activity against dopamine receptor from calf caudate using [3H]spiperone as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  41nMAssay Description:In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  3.10nMAssay Description:In vitro affinity for dopamine receptor by displacement of [3H]- apomorphine in rat striatal membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  4.10nMAssay Description:Inhibition of [3H]dopamine binding to dopamine receptor of rat corpus striatumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  48nMAssay Description:Inhibition of [3H]spiperone binding to dopamine receptor of rat corpus striatumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  1.60nMAssay Description:Inhibition of [3H]apomorphine binding to dopamine receptor of rat corpus striatumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  41nMAssay Description:Alpha-2 adrenergic receptor activity assessed in vitro for displacement of [3H]clonidine from specific binding sites on rat striatal membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  3.10nMAssay Description:Dopaminergic activity assessed in vitro for displacement of [3H]apomorphine from specific binding sites on rat striatal membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed