BDBM50527972 CHEMBL4476784::US11634404, Compound 1

SMILES COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1

InChI Key InChIKey=HAZPAMUWUHDPDA-UHFFFAOYSA-N

Data  16 KI  5 IC50  10 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 31 hits for monomerid = 50527972   

TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataKi:  13nMAssay Description:Displacement of [3H]-7-OH-DPAT from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer containing MgCl2 by topcount a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataKi:  22nMAssay Description:Displacement of [3H]-7-OH-DPAT from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer by topcount assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataKi:  77nMAssay Description:Displacement of [125I]-pindolol from recombinant human beta1 adrenergic receptor expressed in CHO Flp-In cell membranes measured after 90 mins by mic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataKi:  94nMAssay Description:Displacement of [3H]-7-OH-DPAT from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer containing NaCl by topcount as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataKi:  350nMAssay Description:Displacement of [3H]-methylspiperon from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer by topcount assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataKi:  383nMAssay Description:Displacement of [3H]-pentazocine from sigma1 receptor (unknown origin) after 90 mins by microbeta scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataKi:  674nMAssay Description:Displacement of [3H]-LSD from recombinant human 5HT2B receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataKi:  720nMAssay Description:Displacement of [3H]-7-OH-DPAT from human D3R expressed in HEK293 cell membranes measured after 90 mins in EBSS buffer by topcount assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataKi:  1.24E+3nMAssay Description:Displacement of [3H]-N-methylspiperone from D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataKi:  1.50E+3nMAssay Description:Displacement of [3H]-methylspiperon from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer containing NaCl by topcou...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataKi:  2.11E+3nMAssay Description:Displacement of [3H]-Way100635 from recombinant human 5HT1A receptor stably expressed in CHO cell membranes measured after 90 mins by microbeta scint...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma intracellular receptor 2(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataKi:  2.75E+3nMAssay Description:Displacement of [3H]-DTG from sigma 2 receptor (unknown origin) measured after 90 mins by microbeta counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataKi:  2.84E+3nMAssay Description:Displacement of [3H]-rauwolscine from recombinant human alpha2C adrenergic receptor stably expressed in MDCK cell membranes measured after 90 mins by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataKi:  3.70E+3nMAssay Description:Displacement of [3H]-methylspiperon from human D3R expressed in HEK293 cell membranes measured after 90 mins in EBSS buffer by topcount assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataKi:  6.00E+3nMAssay Description:Displacement of [3H]-Mesulergine from recombinant human 5HT2C receptor expressed in HEK cell membranes measured after 90 mins by microbeta scintillat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(Homo sapiens)
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]-rauwolscine from recombinant human alpha2A adrenergic receptor stably expressed in MDCK cell membranes measured after 90 mins by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataEC50:  17nMAssay Description:Agonist activity at RLuc8-fused human D3R Y198A mutant expressed in HEK293 cells co-expressing N-terminal Venus-tagged beta-arrestin2 and GRK3 assess...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataEC50:  520nMAssay Description:Agonist activity at RLuc8-fused human D3R Y365A mutant expressed in HEK293 cells co-expressing N-terminal Venus-tagged beta-arrestin2 and GRK3 assess...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human D2R expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 90 mins by beta-galactosidas...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataIC50: >1.00E+4nMAssay Description:Antagonist activity at human D2R expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after 120 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1B) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataIC50: >5.00E+4nMAssay Description:Antagonist activity at Gs-coupled human D5R expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured af...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataEC50:  86nMAssay Description:Agonist activity at human D3R expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production measured after 5 mins in prese...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens)
The United States Of America, As Represented By The Secretary, Department Of Health And Human Services

US Patent
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataEC50:  36nMAssay Description:Compounds were tested for their ability to compete with the orthosteric radioligand [3H]methylspiperone for binding to the D3 DAR using stable HEK ce...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetD(2) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataEC50: >1.00E+4nMAssay Description:For a secondary-screen and selectivity assays, DAR PathHunter® βarrestin GPCR cell lines from DiscoverX (Fremont, Calif.) were used. In the D2 R...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataEC50:  38nMAssay Description:Agonist activity at human D3R expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 90 mins by beta-galactosidas...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataEC50:  1.20nMAssay Description:Agonist activity at RLuc8-fused human D3R expressed in HEK293 cells co-expressing N-terminal Venus-tagged beta-arrestin2 and GRK3 assessed as inducti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataIC50: >5.00E+4nMAssay Description:For a secondary-screen and selectivity assays, DAR PathHunter® βarrestin GPCR cell lines from DiscoverX (Fremont, Calif.) were used. In the D2 R...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataEC50:  21nMAssay Description:Agonist activity at human D3R stably expressed in CHOK1 cells assessed as increase in ERK1/2 phosphorylation measured after 15 mins by AlphaScreen su...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataIC50: >5.00E+4nMAssay Description:Antagonist activity at Gs-coupled human D1R expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured af...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(4) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataIC50: >5.00E+4nMAssay Description:Antagonist activity at Gi/Go-coupled human D4R expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute Of Neurological Disorders And Stroke

Curated by ChEMBL
LigandPNGBDBM50527972(CHEMBL4476784 | US11634404, Compound 1)
Affinity DataEC50:  0.180nMAssay Description:Agonist activity at RLuc8-fused Go-coupled human D3R expressed in HEK293 cells untagged beta1 and mVenus-tagged gamma2 measured after 5 mins in prese...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed