BDBM50064786 (S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide::(S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-isochroman-6-carboxylic acid methylamide::CHEMBL71838

SMILES CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(OC)cc3)OCCc2c1

InChI Key InChIKey=UDLSEQDYARNKTL-QHCPKHFHSA-N

Data  13 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50064786   

Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM50064786((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...)
Affinity DataKi:  0.900nMAssay Description:Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM50064786((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...)
Affinity DataKi:  0.900nMAssay Description:Displacement of [3H]serotonin from recombinant human 5-HT1D receptor expressed in HEK293 cells incubated for 1 hr by competitive radioligand binding ...More data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM50064786((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...)
Affinity DataKi:  0.900nMAssay Description:The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1D receptor from cloned gorilla membranes expressed in cultured HEK 293 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Shaanxi University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50064786((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...)
Affinity DataKi:  168nMAssay Description:Displacement of ketanserin from human 5-HT2A receptor expressed in CHO cell membrane incubated for 1 hr by competitive radioligand binding assay base...More data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Shaanxi University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50064786((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...)
Affinity DataKi:  168nMAssay Description:The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 2A receptor from cloned Human membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50064786((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...)
Affinity DataKi:  241nMAssay Description:The compound was tested for CNS binding affinity towards Dopamine receptor D2 from cloned Human membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50064786((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...)
Affinity DataKi:  241nMAssay Description:Displacement of PNU-86170 from human dopamine D2 receptor expressed in CHO cell membrane incubated for 1 hr by competitive radioligand binding assay ...More data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50064786((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...)
Affinity DataKi:  1.09E+3nMAssay Description:The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1A receptor from cloned Human membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50064786((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...)
Affinity DataKi:  1.09E+3nMAssay Description:Displacement of 8-OH-DPAT from human 5-HT1A receptor expressed in CHO cell membrane incubated for 1 hr by competitive radioligand binding assay basedMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetD(4) dopamine receptor(Homo sapiens (Human))
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50064786((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...)
Affinity DataKi: >3.70E+3nMAssay Description:The compound was tested for CNS binding affinity towards Dopamine receptor D4 from cloned Human membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(4) dopamine receptor(Homo sapiens (Human))
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50064786((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...)
Affinity DataKi:  3.70E+3nMAssay Description:Displacement of spiperone from human dopamine D4 receptor expressed in CHO cell membrane incubated for 1 hr by competitive radioligand binding assay ...More data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
Shaanxi University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50064786((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...)
Affinity DataKi:  5.78E+3nMAssay Description:Displacement of [3H]serotonin from recombinant human 5-HT1B receptor expressed in HEK293 cells incubated for 1 hr by competitive radioligand binding ...More data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 1B(Gorilla gorilla gorilla)
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50064786((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...)
Affinity DataKi:  5.78E+3nMAssay Description:The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1B receptor from cloned gorilla membranes expressed in cultured HEK 293 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed