Compile Data Set for Download or QSAR
Found 27 Enz. Inhib. hit(s) with all data for entry = 50035633
LigandPNGBDBM50001859((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
Affinity DataIC50: 95nMAssay Description:Binding affinity towards hippocampus 5-hydroxytryptamine 1 receptor was measured using radioligand [3H]5-HTMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50019439(1-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES CC1(CC(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H29FN4O2S/c1-26(19-8-10-20(27)11-9-19)18-23(32)31(25(26)33)13-5-4-12-29-14-16-30(17-15-29)24-21-6-2-3-7-22(21)34-28-24/h2-3,6-11H,4-5,12-18H2,1H3
Affinity DataIC50: 120nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50019434(1-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1CC(C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H32N4O2S/c36-28-23-31(24-11-3-1-4-12-24,25-13-5-2-6-14-25)30(37)35(28)18-10-9-17-33-19-21-34(22-20-33)29-26-15-7-8-16-27(26)38-32-29/h1-8,11-16H,9-10,17-23H2
Affinity DataIC50: 230nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50367354(CHEMBL1744357)
Show SMILES O=C1CC2(CCCc3ccccc23)C(=O)N1CCCCN1CCN(CC1)N1Cc2ccccc2S1
Show InChI InChI=1S/C28H34N4O2S/c33-26-20-28(13-7-10-22-8-1-3-11-24(22)28)27(34)31(26)15-6-5-14-29-16-18-30(19-17-29)32-21-23-9-2-4-12-25(23)35-32/h1-4,8-9,11-12H,5-7,10,13-21H2
Affinity DataIC50: 280nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50367358(CHEMBL1202536)
Show SMILES O=C1CC2(CCCc3ccccc23)C(=O)N1CCCCN1CCN(CC1)c1ncccc1C#N
Show InChI InChI=1S/C27H31N5O2/c28-20-22-9-6-12-29-25(22)31-17-15-30(16-18-31)13-3-4-14-32-24(33)19-27(26(32)34)11-5-8-21-7-1-2-10-23(21)27/h1-2,6-7,9-10,12H,3-5,8,11,13-19H2
Affinity DataIC50: 310nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50367356(CHEMBL1202532)
Show SMILES O=C1CC2(CCc3ccccc3C2)C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C25H31N5O2/c31-22-19-25(9-8-20-6-1-2-7-21(20)18-25)23(32)30(22)13-4-3-12-28-14-16-29(17-15-28)24-26-10-5-11-27-24/h1-2,5-7,10-11H,3-4,8-9,12-19H2
Affinity DataIC50: 540nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
LigandPNGBDBM50005132(4,4-Dimethyl-1-[4-(4-pyrimidin-2-yl-piperazin-1-yl...)
Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C1
Show InChI InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3
Affinity DataIC50: 670nMAssay Description:Binding affinity towards hippocampus 5-hydroxytryptamine 1 receptor was measured using radioligand [3H]5-HTMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50019430(2-(4-{4-[3-(4-Fluoro-phenyl)-3-methyl-2,5-dioxo-py...)
Show SMILES CC1(CC(=O)N(CCCCN2CCN(CC2)c2ncccc2C#N)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H28FN5O2/c1-25(20-6-8-21(26)9-7-20)17-22(32)31(24(25)33)12-3-2-11-29-13-15-30(16-14-29)23-19(18-27)5-4-10-28-23/h4-10H,2-3,11-17H2,1H3
Affinity DataIC50: 710nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A/2B/2C(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50001859((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
Affinity DataIC50: 740nMAssay Description:Evaluated for binding affinity towards 5-hydroxytryptamine 2 receptor using radioligand [3H]-spiperoneMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50019435(5,6-Dichloro-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl...)
Show SMILES Clc1cc2C(=O)N(CCCCN3CCN(CC3)c3ncccn3)C(=O)c2cc1Cl
Show InChI InChI=1S/C20H21Cl2N5O2/c21-16-12-14-15(13-17(16)22)19(29)27(18(14)28)7-2-1-6-25-8-10-26(11-9-25)20-23-4-3-5-24-20/h3-5,12-13H,1-2,6-11H2
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50019438(3,3-Diphenyl-1-[4-(4-pyrimidin-2-yl-piperazin-1-yl...)
Show SMILES O=C1CC(C(=O)N1CCCCN1CCN(CC1)c1ncccn1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N5O2/c34-25-22-28(23-10-3-1-4-11-23,24-12-5-2-6-13-24)26(35)33(25)17-8-7-16-31-18-20-32(21-19-31)27-29-14-9-15-30-27/h1-6,9-15H,7-8,16-22H2
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50367359(CHEMBL1202533)
Show SMILES O=C1CC2(CCCc3ccccc23)C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C25H31N5O2/c31-22-19-25(10-5-8-20-7-1-2-9-21(20)25)23(32)30(22)14-4-3-13-28-15-17-29(18-16-28)24-26-11-6-12-27-24/h1-2,6-7,9,11-12H,3-5,8,10,13-19H2
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50005132(4,4-Dimethyl-1-[4-(4-pyrimidin-2-yl-piperazin-1-yl...)
Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C1
Show InChI InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50367360(CHEMBL1202538)
Show SMILES [O-][N+](=O)c1ccc2C(=O)N(CCCCN3CCN(CC3)c3ncccc3C#N)C(=O)c2c1
Show InChI InChI=1S/C22H22N6O4/c23-15-16-4-3-7-24-20(16)26-12-10-25(11-13-26)8-1-2-9-27-21(29)18-6-5-17(28(31)32)14-19(18)22(27)30/h3-7,14H,1-2,8-13H2
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50367361(CHEMBL1202537)
Show SMILES CSc1nc(ncc1F)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C21H24FN5O2S/c1-30-18-17(22)14-23-21(24-18)26-12-10-25(11-13-26)8-4-5-9-27-19(28)15-6-2-3-7-16(15)20(27)29/h2-3,6-7,14H,4-5,8-13H2,1H3
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50019440(3-(4-Fluoro-phenyl)-3-methyl-1-[4-(4-pyrimidin-2-y...)
Show SMILES CC1(CC(=O)N(CCCCN2CCN(CC2)c2ncccn2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H28FN5O2/c1-23(18-5-7-19(24)8-6-18)17-20(30)29(21(23)31)12-3-2-11-27-13-15-28(16-14-27)22-25-9-4-10-26-22/h4-10H,2-3,11-17H2,1H3
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50019433(5-Nitro-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-but...)
Show SMILES [O-][N+](=O)c1ccc2C(=O)N(CCCCN3CCN(CC3)c3ncccn3)C(=O)c2c1
Show InChI InChI=1S/C20H22N6O4/c27-18-16-5-4-15(26(29)30)14-17(16)19(28)25(18)9-2-1-8-23-10-12-24(13-11-23)20-21-6-3-7-22-20/h3-7,14H,1-2,8-13H2
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50019431(3-(4-Fluoro-phenyl)-3-methyl-1-[2-(4-pyrimidin-2-y...)
Show SMILES CC1(CC(=O)N(CCN2CCN(CC2)c2ncccn2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN5O2/c1-21(16-3-5-17(22)6-4-16)15-18(28)27(19(21)29)14-11-25-9-12-26(13-10-25)20-23-7-2-8-24-20/h2-8H,9-15H2,1H3
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50019427(3-(4-Fluoro-phenyl)-3-methyl-1-[3-(4-pyrimidin-2-y...)
Show SMILES CC1(CC(=O)N(CCCN2CCN(CC2)c2ncccn2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H26FN5O2/c1-22(17-4-6-18(23)7-5-17)16-19(29)28(20(22)30)11-3-10-26-12-14-27(15-13-26)21-24-8-2-9-25-21/h2,4-9H,3,10-16H2,1H3
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50019425(2-{4-[4-(2,5-Dioxo-3,3-diphenyl-pyrrolidin-1-yl)-b...)
Show SMILES O=C1CC(C(=O)N1CCCCN1CCN(CC1)c1ncccc1C#N)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H31N5O2/c31-23-24-10-9-15-32-28(24)34-20-18-33(19-21-34)16-7-8-17-35-27(36)22-30(29(35)37,25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-6,9-15H,7-8,16-22H2
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50367355(CHEMBL1202534)
Show SMILES O=C1C2CC=CCC2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C20H27N5O2/c26-18-16-6-1-2-7-17(16)19(27)25(18)11-4-3-10-23-12-14-24(15-13-23)20-21-8-5-9-22-20/h1-2,5,8-9,16-17H,3-4,6-7,10-15H2
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50019422(2-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-isoi...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)c2ccccc12
Show InChI InChI=1S/C20H23N5O2/c26-18-16-6-1-2-7-17(16)19(27)25(18)11-4-3-10-23-12-14-24(15-13-23)20-21-8-5-9-22-20/h1-2,5-9H,3-4,10-15H2
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50019421(4,5,6,7-Tetrachloro-2-[4-(4-pyrimidin-2-yl-piperaz...)
Show SMILES Clc1c2C(=O)N(CCCCN3CCN(CC3)c3ncccn3)C(=O)c2c(Cl)c(Cl)c1Cl
Show InChI InChI=1S/C20H19Cl4N5O2/c21-14-12-13(15(22)17(24)16(14)23)19(31)29(18(12)30)7-2-1-6-27-8-10-28(11-9-27)20-25-4-3-5-26-20/h3-5H,1-2,6-11H2
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
LigandPNGBDBM50001859((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity at serotonin 5-HT1-type site receptor in rat cortex by displacing [3H]5-HTMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50452297(CHEMBL2114399)
Show SMILES CC1(CC(=O)N(CCCCN2CCN(CC2)c2ncccn2)C1=O)c1ccccc1
Show InChI InChI=1S/C23H29N5O2.C7H8O3S/c1-23(19-8-3-2-4-9-19)18-20(29)28(21(23)30)13-6-5-12-26-14-16-27(17-15-26)22-24-10-7-11-25-22;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,7-11H,5-6,12-18H2,1H3;2-5H,1H3,(H,8,9,10)
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50452296(CHEMBL2115344)
Show SMILES CC1(CC(=O)N(CCCCN2CCN(CC2)c2ncccn2)C1=O)c1ccccc1
Show InChI InChI=1S/C23H29N5O2.ClH/c1-23(19-8-3-2-4-9-19)18-20(29)28(21(23)30)13-6-5-12-26-14-16-27(17-15-26)22-24-10-7-11-25-22;/h2-4,7-11H,5-6,12-18H2,1H3;1H
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50367357(CHEMBL1202535)
Show SMILES O=C1CC2(CCc3ccccc23)C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C24H29N5O2/c30-21-18-24(9-8-19-6-1-2-7-20(19)24)22(31)29(21)13-4-3-12-27-14-16-28(17-15-27)23-25-10-5-11-26-23/h1-2,5-7,10-11H,3-4,8-9,12-18H2
Affinity DataIC50: 1.30E+3nMAssay Description:Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.More data for this Ligand-Target Pair