BDBM194780 7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butoxy)quinolin-2(1H)-one::OPC 34712::Rexulti::US9206167, 1::USRE48059, Compound of Example 1::brexpiprazole

SMILES O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1

InChI Key InChIKey=ZKIAIYBUSXZPLP-UHFFFAOYSA-N

Data  16 KI  5 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 194780   

Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Cracow University Of Technology

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataKi:  0.0900nMAssay Description:Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in rat brain hippocampus incubated for 60 mins by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Jiangsu Ocean University

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataKi:  0.120nMAssay Description:Displacement of [3H](+)8-OH-DPAT from human 5HT1A receptor expressed in human HeLa cells measured after 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Jiangsu Ocean University

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataKi:  0.120nMAssay Description:Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Otsuka Pharmaceutical

US Patent
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataKi:  0.200nM ΔG°:  -13.2kcal/molepH: 7.4 T: 2°CAssay Description:The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Otsuka Pharmaceutical

US Patent
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataKi:  0.200nMAssay Description:Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetD(2) dopamine receptor(Homo sapiens (Human))
Medical University Of Warsaw

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetD(2) dopamine receptor(Homo sapiens (Human))
Medical University Of Warsaw

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]raclopride from human D2 long receptor expressed in CHO cells measured after 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Medical University Of Warsaw

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataKi:  0.398nMAssay Description:Binding affinity to 5-HT2BR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Jiangsu Ocean University

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataKi:  0.470nMAssay Description:Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO-K1 cells measured after 20 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Jiangsu Ocean University

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataKi:  0.470nMAssay Description:Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in rat cortex tissue incubated for 30 mins by liquid scintillation counting meth...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Medical University Of Warsaw

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataKi:  0.510nMAssay Description:Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetD(2) dopamine receptor(Homo sapiens (Human))
Medical University Of Warsaw

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataKi:  0.513nMAssay Description:Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Otsuka Pharmaceutical

US Patent
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataKi:  2.30nMAssay Description:5-HT2A: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-Ketanserin (final concentration 1 to 3 nM), 20 ...More data for this Ligand-Target Pair
In DepthDetails US Patent
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Otsuka Pharmaceutical

US Patent
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataKi:  2.30nM ΔG°:  -12.3kcal/molepH: 7.4 T: 2°CAssay Description:The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...More data for this Ligand-Target Pair
In DepthDetails US Patent
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Medical University Of Warsaw

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataKi:  3.70nMAssay Description:Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Otsuka Pharmaceutical

US Patent
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataKi:  3.80nMAssay Description:Displacement of [3H]raclopride from D2 receptor in rat brain striatum incubated for 60 mins by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Medical University Of Warsaw

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataEC50:  16nMAssay Description:Partial agonist activity at D2 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetD(2) dopamine receptor(Homo sapiens (Human))
Medical University Of Warsaw

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataEC50:  10nMAssay Description:Partial agonist activity at D2 receptor (unknown origin) expressed in HEK293T cells co-expressing Rluc8-tagged Galpahi1 assessed as Galphai1 dissocia...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetD(2) dopamine receptor(Homo sapiens (Human))
Medical University Of Warsaw

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataEC50:  10nMAssay Description:Partial agonist activity at D2 receptor (unknown origin) expressed in HEK293T cells co-expressing Rluc8-tagged Galpahi1 assessed as Galphai1 dissocia...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetD(2) dopamine receptor(Homo sapiens (Human))
Medical University Of Warsaw

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataEC50:  16nMAssay Description:Partial agonist activity at D2 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetD(2) dopamine receptor(Homo sapiens (Human))
Medical University Of Warsaw

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Affinity DataEC50:  6.30nMAssay Description:Agonist activity at D2 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank