Compile Data Set for Download or QSAR
Found 65 Enz. Inhib. hit(s) with all data for entry = 50045351
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058306(CHEMBL3331390)
Show SMILES COc1ccccc1N1CCN(CCCCCCCn2c3ccccc3oc2=O)CC1
Show InChI InChI=1S/C25H33N3O3/c1-30-23-13-7-5-11-21(23)27-19-17-26(18-20-27)15-9-3-2-4-10-16-28-22-12-6-8-14-24(22)31-25(28)29/h5-8,11-14H,2-4,9-10,15-20H2,1H3
Affinity DataKi:  0.190nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058305(CHEMBL3331391)
Show SMILES COc1ccccc1N1CCN(CCCCCCCn2c3ccccc3sc2=O)CC1
Show InChI InChI=1S/C25H33N3O2S/c1-30-23-13-7-5-11-21(23)27-19-17-26(18-20-27)15-9-3-2-4-10-16-28-22-12-6-8-14-24(22)31-25(28)29/h5-8,11-14H,2-4,9-10,15-20H2,1H3
Affinity DataKi:  0.210nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM21367(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
Affinity DataKi:  0.220nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058307(CHEMBL3331389)
Show SMILES O=c1sc2ccccc2n1CCCCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H31N3OS/c28-24-27(22-13-7-8-14-23(22)29-24)16-10-3-1-2-9-15-25-17-19-26(20-18-25)21-11-5-4-6-12-21/h4-8,11-14H,1-3,9-10,15-20H2
Affinity DataKi:  0.270nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058310(CHEMBL3331387)
Show SMILES COc1ccccc1N1CCN(CCCCCCn2c3ccccc3sc2=O)CC1
Show InChI InChI=1S/C24H31N3O2S/c1-29-22-12-6-4-10-20(22)26-18-16-25(17-19-26)14-8-2-3-9-15-27-21-11-5-7-13-23(21)30-24(27)28/h4-7,10-13H,2-3,8-9,14-19H2,1H3
Affinity DataKi:  0.430nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM82517(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
Affinity DataKi:  0.600nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058313(CHEMBL3331385)
Show SMILES O=c1sc2ccccc2n1CCCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H29N3OS/c27-23-26(21-12-6-7-13-22(21)28-23)15-9-2-1-8-14-24-16-18-25(19-17-24)20-10-4-3-5-11-20/h3-7,10-13H,1-2,8-9,14-19H2
Affinity DataKi:  0.910nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058325(CHEMBL3331258)
Show SMILES Cc1ccccc1N1CCN(CCCCn2c3ccccc3sc2=O)CC1
Show InChI InChI=1S/C22H27N3OS/c1-18-8-2-3-9-19(18)24-16-14-23(15-17-24)12-6-7-13-25-20-10-4-5-11-21(20)27-22(25)26/h2-5,8-11H,6-7,12-17H2,1H3
Affinity DataKi:  0.990nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50098551((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058312(CHEMBL3331386)
Show SMILES COc1ccccc1N1CCN(CCCCCCn2c3ccccc3oc2=O)CC1
Show InChI InChI=1S/C24H31N3O3/c1-29-22-12-6-4-10-20(22)26-18-16-25(17-19-26)14-8-2-3-9-15-27-21-11-5-7-13-23(21)30-24(27)28/h4-7,10-13H,2-3,8-9,14-19H2,1H3
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058321(CHEMBL3331261)
Show SMILES Clc1cccc(c1)N1CCN(CCCCn2c3ccccc3sc2=O)CC1
Show InChI InChI=1S/C21H24ClN3OS/c22-17-6-5-7-18(16-17)24-14-12-23(13-15-24)10-3-4-11-25-19-8-1-2-9-20(19)27-21(25)26/h1-2,5-9,16H,3-4,10-15H2
Affinity DataKi:  1.70nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50116963(2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)...)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23
Show InChI InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)
Affinity DataKi:  2.10nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM10755(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
Affinity DataKi:  2.10nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058320(CHEMBL3331262)
Show SMILES O=c1sc2ccccc2n1CCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C20H22N2OS/c23-20-22(18-9-3-4-10-19(18)24-20)13-6-5-12-21-14-11-16-7-1-2-8-17(16)15-21/h1-4,7-10H,5-6,11-15H2
Affinity DataKi:  2.80nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058310(CHEMBL3331387)
Show SMILES COc1ccccc1N1CCN(CCCCCCn2c3ccccc3sc2=O)CC1
Show InChI InChI=1S/C24H31N3O2S/c1-29-22-12-6-4-10-20(22)26-18-16-25(17-19-26)14-8-2-3-9-15-27-21-11-5-7-13-23(21)30-24(27)28/h4-7,10-13H,2-3,8-9,14-19H2,1H3
Affinity DataKi:  2.90nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058313(CHEMBL3331385)
Show SMILES O=c1sc2ccccc2n1CCCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H29N3OS/c27-23-26(21-12-6-7-13-22(21)28-23)15-9-2-1-8-14-24-16-18-25(19-17-24)20-10-4-3-5-11-20/h3-7,10-13H,1-2,8-9,14-19H2
Affinity DataKi:  3nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM29546(benzimidazolone scaffold, 15d)
Show SMILES COc1ccccc1N1CCN(CCCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C21H26N4O2/c1-27-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-18-8-3-2-7-17(18)22-21(25)26/h2-5,7-10H,6,11-16H2,1H3,(H,22,26)
Affinity DataKi:  3.40nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058315(CHEMBL3331384)
Show SMILES O=c1oc2ccccc2n1CCCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H29N3O2/c27-23-26(21-12-6-7-13-22(21)28-23)15-9-2-1-8-14-24-16-18-25(19-17-24)20-10-4-3-5-11-20/h3-7,10-13H,1-2,8-9,14-19H2
Affinity DataKi:  4nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058316(CHEMBL3331383)
Show SMILES COc1ccccc1N1CCN(CCCCCn2c3ccccc3sc2=O)CC1
Show InChI InChI=1S/C23H29N3O2S/c1-28-21-11-5-3-9-19(21)25-17-15-24(16-18-25)13-7-2-8-14-26-20-10-4-6-12-22(20)29-23(26)27/h3-6,9-12H,2,7-8,13-18H2,1H3
Affinity DataKi:  5.20nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058317(CHEMBL3331382)
Show SMILES COc1ccccc1N1CCN(CCCCCn2c3ccccc3oc2=O)CC1
Show InChI InChI=1S/C23H29N3O3/c1-28-21-11-5-3-9-19(21)25-17-15-24(16-18-25)13-7-2-8-14-26-20-10-4-6-12-22(20)29-23(26)27/h3-6,9-12H,2,7-8,13-18H2,1H3
Affinity DataKi:  5.90nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058321(CHEMBL3331261)
Show SMILES Clc1cccc(c1)N1CCN(CCCCn2c3ccccc3sc2=O)CC1
Show InChI InChI=1S/C21H24ClN3OS/c22-17-6-5-7-18(16-17)24-14-12-23(13-15-24)10-3-4-11-25-19-8-1-2-9-20(19)27-21(25)26/h1-2,5-9,16H,3-4,10-15H2
Affinity DataKi:  6.10nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50157768(5-(4-(2-methoxyphenyl)piperazin-1-yl)-N-(1,2,3,4-t...)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C26H35N3O2/c1-31-25-14-5-4-13-24(25)29-19-17-28(18-20-29)16-7-6-15-26(30)27-23-12-8-10-21-9-2-3-11-22(21)23/h2-5,9,11,13-14,23H,6-8,10,12,15-20H2,1H3,(H,27,30)
Affinity DataKi:  6.10nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50354520(CHEMBL1836857)
Show SMILES Fc1ccc2C(CCCCN3CCN(CC3)c3cccc(Cl)c3)C(=O)Nc2c1
Show InChI InChI=1S/C22H25ClFN3O/c23-16-4-3-5-18(14-16)27-12-10-26(11-13-27)9-2-1-6-20-19-8-7-17(24)15-21(19)25-22(20)28/h3-5,7-8,14-15,20H,1-2,6,9-13H2,(H,25,28)
Affinity DataKi:  6.70nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50267832(1-[4-(3,4-Dihydroisoquinolin-2(1H)-yl)butyl]-1,3-d...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C21H24N2O/c24-21-15-18-8-3-4-10-20(18)23(21)13-6-5-12-22-14-11-17-7-1-2-9-19(17)16-22/h1-4,7-10H,5-6,11-16H2
Affinity DataKi:  7nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM29554(benzimidazolone scaffold, 15m)
Show SMILES Clc1ccc(cc1)N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C22H27ClN4O/c23-18-8-10-19(11-9-18)26-16-14-25(15-17-26)12-4-1-5-13-27-21-7-3-2-6-20(21)24-22(27)28/h2-3,6-11H,1,4-5,12-17H2,(H,24,28)
Affinity DataKi:  7nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058316(CHEMBL3331383)
Show SMILES COc1ccccc1N1CCN(CCCCCn2c3ccccc3sc2=O)CC1
Show InChI InChI=1S/C23H29N3O2S/c1-28-21-11-5-3-9-19(21)25-17-15-24(16-18-25)13-7-2-8-14-26-20-10-4-6-12-22(20)29-23(26)27/h3-6,9-12H,2,7-8,13-18H2,1H3
Affinity DataKi:  7.10nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058307(CHEMBL3331389)
Show SMILES O=c1sc2ccccc2n1CCCCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H31N3OS/c28-24-27(22-13-7-8-14-23(22)29-24)16-10-3-1-2-9-15-25-17-19-26(20-18-25)21-11-5-4-6-12-21/h4-8,11-14H,1-3,9-10,15-20H2
Affinity DataKi:  7.60nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058306(CHEMBL3331390)
Show SMILES COc1ccccc1N1CCN(CCCCCCCn2c3ccccc3oc2=O)CC1
Show InChI InChI=1S/C25H33N3O3/c1-30-23-13-7-5-11-21(23)27-19-17-26(18-20-27)15-9-3-2-4-10-16-28-22-12-6-8-14-24(22)31-25(28)29/h5-8,11-14H,2-4,9-10,15-20H2,1H3
Affinity DataKi:  7.70nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058326(CHEMBL3331257)
Show SMILES COc1ccccc1N1CCN(CCCCn2c3ccccc3sc2=O)CC1
Show InChI InChI=1S/C22H27N3O2S/c1-27-20-10-4-2-8-18(20)24-16-14-23(15-17-24)12-6-7-13-25-19-9-3-5-11-21(19)28-22(25)26/h2-5,8-11H,6-7,12-17H2,1H3
Affinity DataKi:  7.80nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058305(CHEMBL3331391)
Show SMILES COc1ccccc1N1CCN(CCCCCCCn2c3ccccc3sc2=O)CC1
Show InChI InChI=1S/C25H33N3O2S/c1-30-23-13-7-5-11-21(23)27-19-17-26(18-20-27)15-9-3-2-4-10-16-28-22-12-6-8-14-24(22)31-25(28)29/h5-8,11-14H,2-4,9-10,15-20H2,1H3
Affinity DataKi:  8.5nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50157768(5-(4-(2-methoxyphenyl)piperazin-1-yl)-N-(1,2,3,4-t...)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C26H35N3O2/c1-31-25-14-5-4-13-24(25)29-19-17-28(18-20-29)16-7-6-15-26(30)27-23-12-8-10-21-9-2-3-11-22(21)23/h2-5,9,11,13-14,23H,6-8,10,12,15-20H2,1H3,(H,27,30)
Affinity DataKi:  9nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058328(CHEMBL3331256)
Show SMILES COc1ccccc1N1CCN(CCCCn2c3ccccc3oc2=O)CC1
Show InChI InChI=1S/C22H27N3O3/c1-27-20-10-4-2-8-18(20)24-16-14-23(15-17-24)12-6-7-13-25-19-9-3-5-11-21(19)28-22(25)26/h2-5,8-11H,6-7,12-17H2,1H3
Affinity DataKi:  10nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058325(CHEMBL3331258)
Show SMILES Cc1ccccc1N1CCN(CCCCn2c3ccccc3sc2=O)CC1
Show InChI InChI=1S/C22H27N3OS/c1-18-8-2-3-9-19(18)24-16-14-23(15-17-24)12-6-7-13-25-20-10-4-5-11-21(20)27-22(25)26/h2-5,8-11H,6-7,12-17H2,1H3
Affinity DataKi:  10nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058317(CHEMBL3331382)
Show SMILES COc1ccccc1N1CCN(CCCCCn2c3ccccc3oc2=O)CC1
Show InChI InChI=1S/C23H29N3O3/c1-28-21-11-5-3-9-19(21)25-17-15-24(16-18-25)13-7-2-8-14-26-20-10-4-6-12-22(20)29-23(26)27/h3-6,9-12H,2,7-8,13-18H2,1H3
Affinity DataKi:  12nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058312(CHEMBL3331386)
Show SMILES COc1ccccc1N1CCN(CCCCCCn2c3ccccc3oc2=O)CC1
Show InChI InChI=1S/C24H31N3O3/c1-29-22-12-6-4-10-20(22)26-18-16-25(17-19-26)14-8-2-3-9-15-27-21-11-5-7-13-23(21)30-24(27)28/h4-7,10-13H,2-3,8-9,14-19H2,1H3
Affinity DataKi:  12nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058315(CHEMBL3331384)
Show SMILES O=c1oc2ccccc2n1CCCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H29N3O2/c27-23-26(21-12-6-7-13-22(21)28-23)15-9-2-1-8-14-24-16-18-25(19-17-24)20-10-4-3-5-11-20/h3-7,10-13H,1-2,8-9,14-19H2
Affinity DataKi:  14nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058319(CHEMBL3331263)
Show SMILES O=c1oc2ccccc2n1CCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O2/c26-22-25(20-11-5-6-12-21(20)27-22)14-8-2-7-13-23-15-17-24(18-16-23)19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2
Affinity DataKi:  19nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058328(CHEMBL3331256)
Show SMILES COc1ccccc1N1CCN(CCCCn2c3ccccc3oc2=O)CC1
Show InChI InChI=1S/C22H27N3O3/c1-27-20-10-4-2-8-18(20)24-16-14-23(15-17-24)12-6-7-13-25-19-9-3-5-11-21(19)28-22(25)26/h2-5,8-11H,6-7,12-17H2,1H3
Affinity DataKi:  19nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058318(CHEMBL3331264)
Show SMILES O=c1sc2ccccc2n1CCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3OS/c26-22-25(20-11-5-6-12-21(20)27-22)14-8-2-7-13-23-15-17-24(18-16-23)19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2
Affinity DataKi:  20nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50267694(1-{4-[4-(1-Naphthyl)piperazin-1-yl]butyl}-1,3-dihy...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H29N3O/c30-26-20-22-9-2-4-12-24(22)29(26)15-6-5-14-27-16-18-28(19-17-27)25-13-7-10-21-8-1-3-11-23(21)25/h1-4,7-13H,5-6,14-20H2
Affinity DataKi:  22nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058326(CHEMBL3331257)
Show SMILES COc1ccccc1N1CCN(CCCCn2c3ccccc3sc2=O)CC1
Show InChI InChI=1S/C22H27N3O2S/c1-27-20-10-4-2-8-18(20)24-16-14-23(15-17-24)12-6-7-13-25-19-9-3-5-11-21(19)28-22(25)26/h2-5,8-11H,6-7,12-17H2,1H3
Affinity DataKi:  25nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058349(CHEMBL3331254 | US9604926, Compound SN-251 | US972...)
Show SMILES O=c1oc2ccccc2n1CCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H25N3O2/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2
Affinity DataKi:  26nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058309(CHEMBL3331388)
Show SMILES O=c1oc2ccccc2n1CCCCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H31N3O2/c28-24-27(22-13-7-8-14-23(22)29-24)16-10-3-1-2-9-15-25-17-19-26(20-18-25)21-11-5-4-6-12-21/h4-8,11-14H,1-3,9-10,15-20H2
Affinity DataKi:  30nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058330(CHEMBL3331255)
Show SMILES O=c1sc2ccccc2n1CCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H25N3OS/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2
Affinity DataKi:  36nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM29546(benzimidazolone scaffold, 15d)
Show SMILES COc1ccccc1N1CCN(CCCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C21H26N4O2/c1-27-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-18-8-3-2-7-17(18)22-21(25)26/h2-5,7-10H,6,11-16H2,1H3,(H,22,26)
Affinity DataKi:  40nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058324(CHEMBL3331259)
Show SMILES O=c1sc2ccccc2n1CCCCN1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27N3OS/c26-22-25(20-10-4-5-11-21(20)27-22)13-7-6-12-23-14-16-24(17-15-23)18-19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-18H2
Affinity DataKi:  42nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058309(CHEMBL3331388)
Show SMILES O=c1oc2ccccc2n1CCCCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H31N3O2/c28-24-27(22-13-7-8-14-23(22)29-24)16-10-3-1-2-9-15-25-17-19-26(20-18-25)21-11-5-4-6-12-21/h4-8,11-14H,1-3,9-10,15-20H2
Affinity DataKi:  46nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50267694(1-{4-[4-(1-Naphthyl)piperazin-1-yl]butyl}-1,3-dihy...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H29N3O/c30-26-20-22-9-2-4-12-24(22)29(26)15-6-5-14-27-16-18-28(19-17-27)25-13-7-10-21-8-1-3-11-23(21)25/h1-4,7-13H,5-6,14-20H2
Affinity DataKi:  47nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50058322(CHEMBL3331260)
Show SMILES Clc1ccc(cc1)N1CCN(CCCCn2c3ccccc3sc2=O)CC1
Show InChI InChI=1S/C21H24ClN3OS/c22-17-7-9-18(10-8-17)24-15-13-23(14-16-24)11-3-4-12-25-19-5-1-2-6-20(19)27-21(25)26/h1-2,5-10H,3-4,11-16H2
Affinity DataKi:  47nMAssay Description:Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM21367(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
Affinity DataKi:  53nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
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