BDBM50130293 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one::ARIPIPRAZOLE::CHEMBL1112::US10174011, aripiprazole::US10752588, Compound Aripiprazole::US9018213, aripprazole::US9156822, Aripiprazole

SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl

InChI Key InChIKey=CEUORZQYGODEFX-UHFFFAOYSA-N

Data  257 KI  37 IC50  33 EC50

PDB links: 5 PDB IDs match this monomer.

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 327 hits for monomerid = 50130293   

TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranesMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.340nMAssay 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
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.343nMAssay Description:Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.360nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.360nMAssay Description:Displacement of [3H]LSD from human 5-HT2B receptor expressed in cell membranes after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.380nMAssay Description:Displacement of [3H]spiperone from human D2LR expressed in CHO cell membranesMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.380nMAssay Description:Displacement of [3H]spiperone from human D2SR expressed in CHO cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Third Tokushima Institute of New Drug Research

Curated by PDSP Ki Database
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.400nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Universidade Federal do Rio Grande do Sul

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in Wistar rat hippocampus homogenateMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.450nMAssay Description:Displacement of [3H]Spiperone from human dopamine D2 short receptor expressed in CHO cells by competitive binding assayMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.450nMAssay Description:Concentration required for the inhibitory activity against human FarnesyltransferaseMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.480nMAssay Description:Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.480nMAssay Description:Displacement of [3H]spiperone from human dopamine D2L receptor expressed in CHO cell membranes by radioligand competition binding assayMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.520nMAssay Description:Displacement of [3H]spiperone from human D2LR expressed in CHO cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.520nMAssay Description:Displacement of [3H]spiperone from human D2LR expressed in CHO cell membranesMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Third Tokushima Institute of New Drug Research

Curated by PDSP Ki Database
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.520nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.530nMAssay Description:Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human farnesyl transferase with 5 nM ATPMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.540nMAssay Description:Displacement of [3H]Spiperone from human dopamine D2 long receptor expressed in CHO cells by competitive binding assayMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Third Tokushima Institute of New Drug Research

Curated by PDSP Ki Database
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.590nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.660nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.687nMAssay Description:Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation co...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.740nMMore data for this Ligand-Target Pair
TargetD(1A) dopamine receptor(RAT)
Universita di Siena

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.800nMAssay Description:Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometryMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Third Tokushima Institute of New Drug Research

Curated by PDSP Ki Database
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.800nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.800nMAssay Description:Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting methodMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.800nMAssay Description:Binding affinity to dopamine D2 receptor (unknown origin)More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Green Cross Corporation

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.800nMAssay Description:Binding affinity to 5-HT2AMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.800nMAssay Description:Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in HEK293 after 1 hrMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Third Tokushima Institute of New Drug Research

Curated by PDSP Ki Database
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.800nMAssay Description:Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometryMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  1nMAssay Description:Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Third Tokushima Institute of New Drug Research

Curated by PDSP Ki Database
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  1.20nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]LSD from 5HT2B receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  1.40nMpH: 7.4Assay Description:Membranes prepared as above were resuspended to 1 ug protein/ul (measured by Bradford assay using BSA as standard), and 50 ul were added to each well...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  1.60nMAssay Description:Binding assay using 5-HT2A, Dopamine D2, SERT, αA1, 5-HT2C and H1 Receptors.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Medical University of Warsaw

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  1.70nMAssay 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
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Third Tokushima Institute of New Drug Research

Curated by PDSP Ki Database
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  1.71nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  1.80nMAssay Description:Displacement of [3H]Spiperone from human dopamine D2L receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  2.10nMAssay 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
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  2.10nMAssay 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
TargetD(3) dopamine receptor(Homo sapiens)
National Institute on Drug Abuse - Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  2.30nMAssay Description:Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...More data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  2.30nMAssay Description:Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  2.60nMAssay Description:Displacement of [3H]spiperone from human dopamine D2 receptor at low affinity state expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  2.80nMAssay Description:Displacement of [3H]spiperone from human dopamine D2 receptor at high affinity state expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  2.90nMAssay Description:Displacement of [3H]spiperone from human D3R expressed in CHO cell membranesMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  2.90nMAssay Description:Displacement of [3H]spiperone from human D3R expressed in CHO cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  3nMAssay Description:Displacement of [3H]Spiperone from human dopamine D3 receptor expressed in CHO cells by competitive binding assayMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  3.10nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  3.10nMAssay Description:Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counterMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  3.30nMAssay Description:Displacement of [3H]N-methylspiperone from human dopamine D2 receptor incubated for 1 hr by liquid scintillation counting methodMore data for this Ligand-Target Pair
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