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 36 hits for monomerid = 50017543   

TargetD(2) dopamine receptor(Rat)
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataKi:  1nMAssay 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
Target5-hydroxytryptamine receptor 1A(Human)
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataKi:  1.80nMAssay 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(3) dopamine receptor(Human)
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataKi:  4nMAssay Description:Binding affinity towards Dopamine receptor D3 by displacement of [3H]-(+)-7-OH-DPAT.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Human)
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataKi:  4nMAssay Description:Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Human)
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataKi:  4nMAssay Description:Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetD(2) dopamine receptor(Human)
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataKi:  26nMAssay Description:Displacement of [125]iodosulpride from human recombinant dopamine D2L receptor expressed in CHO cells after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetD(2) dopamine receptor(Human)
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataKi:  50nMAssay Description:Affinity towards Dopamine receptor D2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetD(1A) dopamine receptor(Human)
University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataKi:  2.02E+3nMAssay Description:Affinity towards Dopamine receptor D1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetD(2) dopamine receptor(Rat)
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataKd:  40nMAssay Description:In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Rat)
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataKd:  4nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Rat)
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataKd:  45nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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(Rat)
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
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(Rat)
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
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
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
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
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
TargetD(2) dopamine receptor(Rat)
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataEC50:  7.90nMAssay Description:Agonist activity at Rattus norvegicus (rat) dopamine D2 receptor transfected in african green monkey COS7 cells assessed as inhibition of forskolin-s...More data for this Ligand-Target Pair
In DepthDetails Article
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  2.40nMAssay Description:Displacement of [3H]nemonapride from Rattus norvegicus (rat) chimeric dopamine D3 trunk/D3 tail receptor transfected in african green monkey COS7 cel...More data for this Ligand-Target Pair
In DepthDetails Article
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  5.10nMAssay Description:Displacement of [3H]nemonapride from Rattus norvegicus (rat) wild type dopamine D3 receptor transfected in african green monkey COS7 cells after 1 hr...More data for this Ligand-Target Pair
In DepthDetails Article
TargetD(2) dopamine receptor(Rat)
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  28nMAssay Description:Displacement of [3H]nemonapride from Rattus norvegicus (rat) chimeric dopamine D2 trunk/D2 tail receptor transfected in african green monkey COS7 cel...More data for this Ligand-Target Pair
In DepthDetails Article
TargetD(2) dopamine receptor(Rat)
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  32nMAssay Description:Displacement of [3H]nemonapride from Rattus norvegicus (rat) wild type dopamine D2 receptor transfected in african green monkey COS7 cells after 1 hr...More data for this Ligand-Target Pair
In DepthDetails Article
TargetD(2) dopamine receptor(Rat)
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataKd:  30nMAssay Description:In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.More 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
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
TargetD(2) dopamine receptor(Rat)
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  1.60nMAssay Description:Inhibitory activity against Dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Bovine)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  48nMAssay Description:Inhibitory activity against Dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Mouse)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataEC50:  959nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetAlpha-synuclein(Human)
University of Catania

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  7.90E+3nMAssay Description:Inhibition of alpha-synuclein fibril formation (unknown origin) incubated for 6 days by thioflavin S based fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Tcg Lifesciences

Curated by ChEMBL
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataIC50:  120nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Affinity DataEC50:  9.25E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Assay Provider: Laura Bohn External Assay ID: OPRM1_AC...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay