BDBM50005127 1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one::1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one (Ipsapirone)::1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one(Ipsapirone)::CHEMBL8412::IPSAPIRONE

SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12

InChI Key InChIKey=TZJUVVIWVWFLCD-UHFFFAOYSA-N

Data  34 KI  20 IC50  1 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 55 hits for monomerid = 50005127   

Target5-hydroxytryptamine receptor 1A(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  0.230nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  0.240nMAssay Description:Displacement of [3H]8-OH-DAPT from human recombinant 5-HT1A receptor expressed in COS7 cells measured after 60 to 90 mins by radioligand completion a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  1.12nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Rat)
Cracow University of Technology

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  3.40nMAssay Description:Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in rat brain hippocampus by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Rat)
Cracow University of Technology

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  3.40nMAssay Description:Inhibitory affinity constant against 5-hydroxytryptamine 1A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Rat)
Cracow University of Technology

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  3.40nMAssay Description:In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampusMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  3.85nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  3.89nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Rat)
Cracow University of Technology

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  5.5nMAssay Description:Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampusMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Rat)
Cracow University of Technology

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  5.5nMAssay Description:Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Rat)
Cracow University of Technology

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  5.5nMAssay Description:Displacement of radioligand [3H]-2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  6nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  6.45nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  7.90nMAssay Description:Displacement of [3H]-5-OH-DPAT from human 5-HT1AR expressed in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  10nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 1A(Rat)
Cracow University of Technology

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  10nMAssay Description:In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Rat)
Cracow University of Technology

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  10nMAssay Description:In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampusMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Mouse)
TBA

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  12nMAssay Description:Compound was tested for binding affinity to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as a radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 1A(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  24.0nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  45.2nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  45.7nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1D adrenergic receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  46nMAssay Description:Binding affinity against human Alpha-1d adrenergic receptor was evaluated by cloned receptor binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  50nMAssay Description:Displacement of [3H]5-CT from human recombinant 5-HT1A receptor expressed in CHO cells measured after 60 to 90 mins by radioligand completion assay r...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1A adrenergic receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  87nMAssay Description:Binding affinity against human Alpha-1a adrenergic receptor was evaluated by cloned receptor binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Human)
Predix Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  110nMAssay Description:Binding affinity to D2 receptor by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  130nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1B adrenergic receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  220nMAssay Description:Binding affinity against human Alpha-1b adrenergic receptor was evaluated by cloned receptor binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Human)
Cracow University of Technology

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  229nMAssay Description:Binding affinity to human adrenergic receptor alpha1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rat)
Predix Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  229nMAssay Description:Displacement of [3H]prazosin from adrenergic alpha-1 receptor in rat cerebral cortex cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Human)
Predix Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  1.22E+3nMAssay Description:Displacement of [3H]-raclopride from human D2R expressed in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Human)
Predix Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  1.22E+3nMAssay Description:Displacement of [3H]raclopride from human cloned D2 receptor expressed in HEK293 cells by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 7(Human)
Cracow University of Technology

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  1.41E+3nMAssay Description:Displacement of [3H]-5CT from human 5-HT7R expressed in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Human)
Cracow University of Technology

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  1.50E+4nMAssay Description:Displacement of [3H]-ketanserin from human 5-HT2AR expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 6(Human)
Cracow University of Technology

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataKi:  1.68E+4nMAssay Description:Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1A adrenergic receptor(Bovine)
Orleans University

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataIC50:  1.20E+3nMAssay Description:Binding affinity against alpha-1 adrenergic receptor in calf frontal cortexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1B(Rat)
Université

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataIC50:  5.00E+4nMAssay Description:Binding affinity to 5-HT1B receptors using rat cortex+striatum + globus pallidus,[3H]-5-OH-tryptamine, and serotonin for NSBMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Bovine)
Université

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataIC50: >1.00E+6nMAssay Description:Displacement of [3H]-SDZ-205-501 from Dopamine receptor D2 in calf caudate nucleus.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataEC50:  68nMAssay Description:Compound was tested for its potency against human 5-hydroxytryptamine 1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerotonin 2 (5-HT2) receptor(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataIC50:  1.00E+4nMAssay Description:Binding affinity towards 5-hydroxytryptamine 2 receptor was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataIC50:  3.12E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Rat)
Cracow University of Technology

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataIC50:  35nMAssay Description:Binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampus membranes,3H-8-OH-DPAT and buspirone for nonspecific binding (NSB)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(Bovine)
Université

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataIC50:  1.20E+4nMAssay Description:Displacement of [3H]-raclopride from Dopamine receptor D1 of calf striatumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Bovine)
Orleans University

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataIC50:  7.50E+3nMAssay Description:Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Rat)
Cracow University of Technology

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataIC50:  35nMAssay Description:Binding affinity against 5-hydroxytryptamine 1A (5-HT1A) receptor in rat hippocampus membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1B(Rat)
Université

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataIC50:  5.00E+4nMAssay Description:Binding affinity for 5-hydroxytryptamine 1B receptor in rat cortex, striatum and globus pallidusMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Bovine)
Université

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataIC50: >1.00E+6nMAssay Description:Binding affinity against D2 receptor in calf caudate nucleusMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(Bovine)
Orleans University

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataIC50:  2.80E+3nMAssay Description:Binding affinity against alpha-2 adrenergic receptor in calf frontal cortexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(Bovine)
Université

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataIC50:  1.20E+4nMAssay Description:Binding affinity towards dopamine receptor D1 in calf striatumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1B(Rat)
Université

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataIC50:  2.60E+4nMAssay Description:Binding affinity towards 5-HT1B was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(4) dopamine receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Affinity DataIC50:  1.80E+3nMAssay Description:Inhibition of dopamine D4 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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