Compile Data Set for Download or QSAR
Found 80 Enz. Inhib. hit(s) with all data for entry = 50027213
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM21392(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253281(CHEMBL522691 | N-(4-Cyanophenylmethyl)-4-(2-diphen...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(cc1)C#N
Show InChI InChI=1S/C30H34N4O/c31-23-25-14-16-26(17-15-25)24-32-30(35)13-5-2-8-18-33-19-21-34(22-20-33)29-12-7-6-11-28(29)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-22,24H2,(H,32,35)
Affinity DataKi:  0.580nMAssay Description:Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253208(CHEMBL492871 | N-Benzyl-4-(2-diphenyl)-1-piperazin...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccccc1
Show InChI InChI=1S/C29H35N3O/c33-29(30-24-25-12-4-1-5-13-25)18-8-3-11-19-31-20-22-32(23-21-31)28-17-10-9-16-27(28)26-14-6-2-7-15-26/h1-2,4-7,9-10,12-17H,3,8,11,18-24H2,(H,30,33)
Affinity DataKi:  0.800nMAssay Description:Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253244(4-(2-Diphenyl)-N-(4-pyridinylmethyl)-1-piperazineh...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccncc1
Show InChI InChI=1S/C28H34N4O/c33-28(30-23-24-14-16-29-17-15-24)13-5-2-8-18-31-19-21-32(22-20-31)27-12-7-6-11-26(27)25-9-3-1-4-10-25/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-23H2,(H,30,33)
Affinity DataKi:  0.980nMAssay Description:Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253062(2-[6-[4-(2-Methylthiophenyl)-1-piperazinyl]-1-oxoh...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1
Show InChI InChI=1S/C25H33N3OS/c1-30-24-12-7-6-11-23(24)27-17-15-26(16-18-27)14-8-2-3-13-25(29)28-19-21-9-4-5-10-22(21)20-28/h4-7,9-12H,2-3,8,13-20H2,1H3
Affinity DataKi:  1.10nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253131(2-[6-[4-(2-(1-Methylethyl)phenyl)-1-piperazinyl]-1...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
Show InChI InChI=1S/C28H39N3O/c1-23(2)26-12-7-8-13-27(26)30-20-18-29(19-21-30)16-9-3-4-14-28(32)31-17-15-24-10-5-6-11-25(24)22-31/h5-8,10-13,23H,3-4,9,14-22H2,1-2H3
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253089(2-[6-[4-(2-Methylthiophenyl)-1-piperazinyl]-1-oxoh...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
Show InChI InChI=1S/C26H35N3OS/c1-31-25-12-7-6-11-24(25)28-19-17-27(18-20-28)15-8-2-3-13-26(30)29-16-14-22-9-4-5-10-23(22)21-29/h4-7,9-12H,2-3,8,13-21H2,1H3
Affinity DataKi:  2nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM21393(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
Affinity DataKi:  2.10nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253088(2-[6-[4-(2-Methoxyphenyl)-1-piperazinyl]-1-oxohexy...)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1
Show InChI InChI=1S/C25H33N3O2/c1-30-24-12-7-6-11-23(24)27-17-15-26(16-18-27)14-8-2-3-13-25(29)28-19-21-9-4-5-10-22(21)20-28/h4-7,9-12H,2-3,8,13-20H2,1H3
Affinity DataKi:  3.20nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253131(2-[6-[4-(2-(1-Methylethyl)phenyl)-1-piperazinyl]-1...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
Show InChI InChI=1S/C28H39N3O/c1-23(2)26-12-7-8-13-27(26)30-20-18-29(19-21-30)16-9-3-4-14-28(32)31-17-15-24-10-5-6-11-25(24)22-31/h5-8,10-13,23H,3-4,9,14-22H2,1-2H3
Affinity DataKi:  3.70nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253130(2-[6-[4-(2-Diphenyl)-1-piperazinyl]-1-oxohexyl]-1,...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1CCc2ccccc2C1
Show InChI InChI=1S/C31H37N3O/c35-31(34-20-18-26-11-6-7-14-28(26)25-34)17-5-2-10-19-32-21-23-33(24-22-32)30-16-9-8-15-29(30)27-12-3-1-4-13-27/h1,3-4,6-9,11-16H,2,5,10,17-25H2
Affinity DataKi:  3.80nMAssay Description:Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM21398(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
Affinity DataKi:  4.20nMAssay Description:Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253245(4-[2-(1-Methylethyl)phenyl]-N-(4-pyridinylmethyl)-...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C25H36N4O/c1-21(2)23-8-5-6-9-24(23)29-18-16-28(17-19-29)15-7-3-4-10-25(30)27-20-22-11-13-26-14-12-22/h5-6,8-9,11-14,21H,3-4,7,10,15-20H2,1-2H3,(H,27,30)
Affinity DataKi:  5.10nMAssay Description:Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253247(CHEMBL493909 | N-(4-Cyanophenylmethyl)-4-(2-methyl...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C25H32N4OS/c1-31-24-8-5-4-7-23(24)29-17-15-28(16-18-29)14-6-2-3-9-25(30)27-20-22-12-10-21(19-26)11-13-22/h4-5,7-8,10-13H,2-3,6,9,14-18,20H2,1H3,(H,27,30)
Affinity DataKi:  5.30nMAssay Description:Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50252691(CHEMBL494458 | N-(4-Methanesulfonyloxyphenylmethyl...)
Show SMILES CS(=O)(=O)Oc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C30H37N3O4S/c1-38(35,36)37-27-17-15-25(16-18-27)24-31-30(34)14-6-3-9-19-32-20-22-33(23-21-32)29-13-8-7-12-28(29)26-10-4-2-5-11-26/h2,4-5,7-8,10-13,15-18H,3,6,9,14,19-24H2,1H3,(H,31,34)
Affinity DataKi:  5.70nMAssay Description:Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253131(2-[6-[4-(2-(1-Methylethyl)phenyl)-1-piperazinyl]-1...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
Show InChI InChI=1S/C28H39N3O/c1-23(2)26-12-7-8-13-27(26)30-20-18-29(19-21-30)16-9-3-4-14-28(32)31-17-15-24-10-5-6-11-25(24)22-31/h5-8,10-13,23H,3-4,9,14-22H2,1-2H3
Affinity DataKi:  6nMAssay Description:Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50252692(CHEMBL494661 | N-(4-Methanesulfonyloxyphenylmethyl...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
Show InChI InChI=1S/C27H39N3O4S/c1-22(2)25-9-6-7-10-26(25)30-19-17-29(18-20-30)16-8-4-5-11-27(31)28-21-23-12-14-24(15-13-23)34-35(3,32)33/h6-7,9-10,12-15,22H,4-5,8,11,16-21H2,1-3H3,(H,28,31)
Affinity DataKi:  7.80nMAssay Description:Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253211(4-(2-Methylthiophenyl)-N-(4-pyridinylmethyl)-1-pip...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C23H32N4OS/c1-29-22-8-5-4-7-21(22)27-17-15-26(16-18-27)14-6-2-3-9-23(28)25-19-20-10-12-24-13-11-20/h4-5,7-8,10-13H,2-3,6,9,14-19H2,1H3,(H,25,28)
Affinity DataKi:  8.20nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253086(2-[6-[4-(2-Diphenyl)-1-piperazinyl]-1-oxohexyl]iso...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C1
Show InChI InChI=1S/C30H35N3O/c34-30(33-23-26-13-6-7-14-27(26)24-33)17-5-2-10-18-31-19-21-32(22-20-31)29-16-9-8-15-28(29)25-11-3-1-4-12-25/h1,3-4,6-9,11-16H,2,5,10,17-24H2
Affinity DataKi:  8.30nMAssay Description:Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253282(CHEMBL494312 | N-(4-Cyanophenylmethyl)-4-[2-(1-met...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C27H36N4O/c1-22(2)25-8-5-6-9-26(25)31-18-16-30(17-19-31)15-7-3-4-10-27(32)29-21-24-13-11-23(20-28)12-14-24/h5-6,8-9,11-14,22H,3-4,7,10,15-19,21H2,1-2H3,(H,29,32)
Affinity DataKi:  8.60nMAssay Description:Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253247(CHEMBL493909 | N-(4-Cyanophenylmethyl)-4-(2-methyl...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C25H32N4OS/c1-31-24-8-5-4-7-23(24)29-17-15-28(16-18-29)14-6-2-3-9-25(30)27-20-22-12-10-21(19-26)11-13-22/h4-5,7-8,10-13H,2-3,6,9,14-18,20H2,1H3,(H,27,30)
Affinity DataKi:  9nMAssay Description:Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253209(CHEMBL492872 | N-Benzyl-4-[2-(1-methylethyl)phenyl...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1
Show InChI InChI=1S/C26H37N3O/c1-22(2)24-13-8-9-14-25(24)29-19-17-28(18-20-29)16-10-4-7-15-26(30)27-21-23-11-5-3-6-12-23/h3,5-6,8-9,11-14,22H,4,7,10,15-21H2,1-2H3,(H,27,30)
Affinity DataKi:  9.20nMAssay Description:Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253284(CHEMBL521687 | N-(4-Methanesulfonyloxyphenylmethyl...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
Show InChI InChI=1S/C25H35N3O4S2/c1-33-24-9-6-5-8-23(24)28-18-16-27(17-19-28)15-7-3-4-10-25(29)26-20-21-11-13-22(14-12-21)32-34(2,30)31/h5-6,8-9,11-14H,3-4,7,10,15-20H2,1-2H3,(H,26,29)
Affinity DataKi:  10nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253133(CHEMBL492691 | N-Benzyl-4-(2-methylthiophenyl)-1-p...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1
Show InChI InChI=1S/C24H33N3OS/c1-29-23-13-8-7-12-22(23)27-18-16-26(17-19-27)15-9-3-6-14-24(28)25-20-21-10-4-2-5-11-21/h2,4-5,7-8,10-13H,3,6,9,14-20H2,1H3,(H,25,28)
Affinity DataKi:  12nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253210(CHEMBL495120 | N-Benzyl-4-(2-methoxyphenyl)-1-pipe...)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1
Show InChI InChI=1S/C24H33N3O2/c1-29-23-13-8-7-12-22(23)27-18-16-26(17-19-27)15-9-3-6-14-24(28)25-20-21-10-4-2-5-11-21/h2,4-5,7-8,10-13H,3,6,9,14-20H2,1H3,(H,25,28)
Affinity DataKi:  13nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253246(4-(2-Methoxyphenyl)-N-(4-pyridinylmethyl)-1-pipera...)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C23H32N4O2/c1-29-22-8-5-4-7-21(22)27-17-15-26(16-18-27)14-6-2-3-9-23(28)25-19-20-10-12-24-13-11-20/h4-5,7-8,10-13H,2-3,6,9,14-19H2,1H3,(H,25,28)
Affinity DataKi:  19nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253282(CHEMBL494312 | N-(4-Cyanophenylmethyl)-4-[2-(1-met...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C27H36N4O/c1-22(2)25-8-5-6-9-26(25)31-18-16-30(17-19-31)15-7-3-4-10-27(32)29-21-24-13-11-23(20-28)12-14-24/h5-6,8-9,11-14,22H,3-4,7,10,15-19,21H2,1-2H3,(H,29,32)
Affinity DataKi:  20nMAssay Description:Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253245(4-[2-(1-Methylethyl)phenyl]-N-(4-pyridinylmethyl)-...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C25H36N4O/c1-21(2)23-8-5-6-9-24(23)29-18-16-28(17-19-29)15-7-3-4-10-25(30)27-20-22-11-13-26-14-12-22/h5-6,8-9,11-14,21H,3-4,7,10,15-20H2,1-2H3,(H,27,30)
Affinity DataKi:  21nMAssay Description:Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253087(2-[6-[4-(2-(1-Methylethyl)phenyl)-1-piperazinyl]-1...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1
Show InChI InChI=1S/C27H37N3O/c1-22(2)25-12-7-8-13-26(25)29-18-16-28(17-19-29)15-9-3-4-14-27(31)30-20-23-10-5-6-11-24(23)21-30/h5-8,10-13,22H,3-4,9,14-21H2,1-2H3
Affinity DataKi:  22nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253133(CHEMBL492691 | N-Benzyl-4-(2-methylthiophenyl)-1-p...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1
Show InChI InChI=1S/C24H33N3OS/c1-29-23-13-8-7-12-22(23)27-18-16-26(17-19-27)15-9-3-6-14-24(28)25-20-21-10-4-2-5-11-21/h2,4-5,7-8,10-13H,3,6,9,14-20H2,1H3,(H,25,28)
Affinity DataKi:  22nMAssay Description:Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253132(2-[6-[4-(2-Methoxyphenyl)-1-piperazinyl]-1-oxohexy...)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
Show InChI InChI=1S/C26H35N3O2/c1-31-25-12-7-6-11-24(25)28-19-17-27(18-20-28)15-8-2-3-13-26(30)29-16-14-22-9-4-5-10-23(22)21-29/h4-7,9-12H,2-3,8,13-21H2,1H3
Affinity DataKi:  22nMAssay Description:Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50252693(CHEMBL522194 | N-(4-Methanesulfonyloxyphenylmethyl...)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
Show InChI InChI=1S/C25H35N3O5S/c1-32-24-9-6-5-8-23(24)28-18-16-27(17-19-28)15-7-3-4-10-25(29)26-20-21-11-13-22(14-12-21)33-34(2,30)31/h5-6,8-9,11-14H,3-4,7,10,15-20H2,1-2H3,(H,26,29)
Affinity DataKi:  29nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253284(CHEMBL521687 | N-(4-Methanesulfonyloxyphenylmethyl...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
Show InChI InChI=1S/C25H35N3O4S2/c1-33-24-9-6-5-8-23(24)28-18-16-27(17-19-28)15-7-3-4-10-25(29)26-20-21-11-13-22(14-12-21)32-34(2,30)31/h5-6,8-9,11-14H,3-4,7,10,15-20H2,1-2H3,(H,26,29)
Affinity DataKi:  30nMAssay Description:Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253132(2-[6-[4-(2-Methoxyphenyl)-1-piperazinyl]-1-oxohexy...)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
Show InChI InChI=1S/C26H35N3O2/c1-31-25-12-7-6-11-24(25)28-19-17-27(18-20-28)15-8-2-3-13-26(30)29-16-14-22-9-4-5-10-23(22)21-29/h4-7,9-12H,2-3,8,13-21H2,1H3
Affinity DataKi:  31nMAssay Description:Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253133(CHEMBL492691 | N-Benzyl-4-(2-methylthiophenyl)-1-p...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1
Show InChI InChI=1S/C24H33N3OS/c1-29-23-13-8-7-12-22(23)27-18-16-26(17-19-27)15-9-3-6-14-24(28)25-20-21-10-4-2-5-11-21/h2,4-5,7-8,10-13H,3,6,9,14-20H2,1H3,(H,25,28)
Affinity DataKi:  33nMAssay Description:Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253089(2-[6-[4-(2-Methylthiophenyl)-1-piperazinyl]-1-oxoh...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
Show InChI InChI=1S/C26H35N3OS/c1-31-25-12-7-6-11-24(25)28-19-17-27(18-20-28)15-8-2-3-13-26(30)29-16-14-22-9-4-5-10-23(22)21-29/h4-7,9-12H,2-3,8,13-21H2,1H3
Affinity DataKi:  33nMAssay Description:Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253211(4-(2-Methylthiophenyl)-N-(4-pyridinylmethyl)-1-pip...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C23H32N4OS/c1-29-22-8-5-4-7-21(22)27-17-15-26(16-18-27)14-6-2-3-9-23(28)25-19-20-10-12-24-13-11-20/h4-5,7-8,10-13H,2-3,6,9,14-19H2,1H3,(H,25,28)
Affinity DataKi:  35nMAssay Description:Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253132(2-[6-[4-(2-Methoxyphenyl)-1-piperazinyl]-1-oxohexy...)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
Show InChI InChI=1S/C26H35N3O2/c1-31-25-12-7-6-11-24(25)28-19-17-27(18-20-28)15-8-2-3-13-26(30)29-16-14-22-9-4-5-10-23(22)21-29/h4-7,9-12H,2-3,8,13-21H2,1H3
Affinity DataKi:  40nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253089(2-[6-[4-(2-Methylthiophenyl)-1-piperazinyl]-1-oxoh...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
Show InChI InChI=1S/C26H35N3OS/c1-31-25-12-7-6-11-24(25)28-19-17-27(18-20-28)15-8-2-3-13-26(30)29-16-14-22-9-4-5-10-23(22)21-29/h4-7,9-12H,2-3,8,13-21H2,1H3
Affinity DataKi:  40nMAssay Description:Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253062(2-[6-[4-(2-Methylthiophenyl)-1-piperazinyl]-1-oxoh...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1
Show InChI InChI=1S/C25H33N3OS/c1-30-24-12-7-6-11-23(24)27-17-15-26(16-18-27)14-8-2-3-13-25(29)28-19-21-9-4-5-10-22(21)20-28/h4-7,9-12H,2-3,8,13-20H2,1H3
Affinity DataKi:  42nMAssay Description:Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253283(CHEMBL494512 | N-(4-Cyanophenylmethyl)-4-(2-methox...)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C25H32N4O2/c1-31-24-8-5-4-7-23(24)29-17-15-28(16-18-29)14-6-2-3-9-25(30)27-20-22-12-10-21(19-26)11-13-22/h4-5,7-8,10-13H,2-3,6,9,14-18,20H2,1H3,(H,27,30)
Affinity DataKi:  43nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253282(CHEMBL494312 | N-(4-Cyanophenylmethyl)-4-[2-(1-met...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C27H36N4O/c1-22(2)25-8-5-6-9-26(25)31-18-16-30(17-19-31)15-7-3-4-10-27(32)29-21-24-13-11-23(20-28)12-14-24/h5-6,8-9,11-14,22H,3-4,7,10,15-19,21H2,1-2H3,(H,29,32)
Affinity DataKi:  53nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253087(2-[6-[4-(2-(1-Methylethyl)phenyl)-1-piperazinyl]-1...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1
Show InChI InChI=1S/C27H37N3O/c1-22(2)25-12-7-8-13-26(25)29-18-16-28(17-19-29)15-9-3-4-14-27(31)30-20-23-10-5-6-11-24(23)21-30/h5-8,10-13,22H,3-4,9,14-21H2,1-2H3
Affinity DataKi:  54nMAssay Description:Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50252692(CHEMBL494661 | N-(4-Methanesulfonyloxyphenylmethyl...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
Show InChI InChI=1S/C27H39N3O4S/c1-22(2)25-9-6-7-10-26(25)30-19-17-29(18-20-30)16-8-4-5-11-27(31)28-21-23-12-14-24(15-13-23)34-35(3,32)33/h6-7,9-10,12-15,22H,4-5,8,11,16-21H2,1-3H3,(H,28,31)
Affinity DataKi:  57nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253211(4-(2-Methylthiophenyl)-N-(4-pyridinylmethyl)-1-pip...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C23H32N4OS/c1-29-22-8-5-4-7-21(22)27-17-15-26(16-18-27)14-6-2-3-9-23(28)25-19-20-10-12-24-13-11-20/h4-5,7-8,10-13H,2-3,6,9,14-19H2,1H3,(H,25,28)
Affinity DataKi:  64nMAssay Description:Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253087(2-[6-[4-(2-(1-Methylethyl)phenyl)-1-piperazinyl]-1...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1
Show InChI InChI=1S/C27H37N3O/c1-22(2)25-12-7-8-13-26(25)29-18-16-28(17-19-29)15-9-3-4-14-27(31)30-20-23-10-5-6-11-24(23)21-30/h5-8,10-13,22H,3-4,9,14-21H2,1-2H3
Affinity DataKi:  65nMAssay Description:Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50253244(4-(2-Diphenyl)-N-(4-pyridinylmethyl)-1-piperazineh...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccncc1
Show InChI InChI=1S/C28H34N4O/c33-28(30-23-24-14-16-29-17-15-24)13-5-2-8-18-31-19-21-32(22-20-31)27-12-7-6-11-26(27)25-9-3-1-4-10-25/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-23H2,(H,30,33)
Affinity DataKi:  70nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50252693(CHEMBL522194 | N-(4-Methanesulfonyloxyphenylmethyl...)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
Show InChI InChI=1S/C25H35N3O5S/c1-32-24-9-6-5-8-23(24)28-18-16-27(17-19-28)15-7-3-4-10-25(29)26-20-21-11-13-22(14-12-21)33-34(2,30)31/h5-6,8-9,11-14H,3-4,7,10,15-20H2,1-2H3,(H,26,29)
Affinity DataKi:  71nMAssay Description:Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50252692(CHEMBL494661 | N-(4-Methanesulfonyloxyphenylmethyl...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
Show InChI InChI=1S/C27H39N3O4S/c1-22(2)25-9-6-7-10-26(25)30-19-17-29(18-20-30)16-8-4-5-11-27(31)28-21-23-12-14-24(15-13-23)34-35(3,32)33/h6-7,9-10,12-15,22H,4-5,8,11,16-21H2,1-3H3,(H,28,31)
Affinity DataKi:  76nMAssay Description:Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Università degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50252693(CHEMBL522194 | N-(4-Methanesulfonyloxyphenylmethyl...)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
Show InChI InChI=1S/C25H35N3O5S/c1-32-24-9-6-5-8-23(24)28-18-16-27(17-19-28)15-7-3-4-10-25(29)26-20-21-11-13-22(14-12-21)33-34(2,30)31/h5-6,8-9,11-14H,3-4,7,10,15-20H2,1-2H3,(H,26,29)
Affinity DataKi:  91nMAssay Description:Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cellsMore data for this Ligand-Target Pair
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