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   

TargetD(2) dopamine receptor(Rattus norvegicus (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
TargetD(2) dopamine receptor(Homo sapiens (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(Homo sapiens (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(Homo sapiens (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(2) dopamine receptor(Rattus norvegicus (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(Rattus norvegicus (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(Rattus norvegicus (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
TargetD(2) dopamine receptor(Rattus norvegicus (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
TargetD(2) dopamine receptor(Rattus norvegicus (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(Rattus norvegicus (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(Rattus norvegicus (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
TargetD(2) dopamine receptor(Rattus norvegicus (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