Compile Data Set for Download or QSAR
Found 689 with Last Name = 'modica' and Initial = 'mn'
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50023189(CHEMBL3297829)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)N(C)Cc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C36H40N6O5S/c1-39(24-25-9-4-3-5-10-25)32(44)14-8-13-31(43)37-26-15-16-30-27(23-26)33-34(48-30)35(45)42(36(46)38-33)22-19-40-17-20-41(21-18-40)28-11-6-7-12-29(28)47-2/h3-7,9-12,15-16,23H,8,13-14,17-22,24H2,1-2H3,(H,37,43)(H,38,46)
Affinity DataKi:  0.0562nMAssay Description:Displacement of [125I]BE2254 from human alpha1d receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Università di Catania

Curated by ChEMBL
LigandPNGBDBM50262788(2-[[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]thi...)
Show SMILES COc1ccccc1N1CCN(CCCCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C22H27N3O2S/c1-26-21-11-5-3-9-19(21)25-15-13-24(14-16-25)12-6-7-17-28-22-23-18-8-2-4-10-20(18)27-22/h2-5,8-11H,6-7,12-17H2,1H3
Affinity DataKi:  0.0940nMAssay Description:Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampusMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50143697(8-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27Cl2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
Affinity DataKi:  0.129nMAssay Description:Displacement of [125I]BE-2254 from human adrenergic Alpha-1D receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50023188(CHEMBL3298750)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C35H38N6O5S/c1-46-28-11-6-5-10-27(28)40-19-16-39(17-20-40)18-21-41-34(44)33-32(38-35(41)45)26-22-25(14-15-29(26)47-33)37-31(43)13-7-12-30(42)36-23-24-8-3-2-4-9-24/h2-6,8-11,14-15,22H,7,12-13,16-21,23H2,1H3,(H,36,42)(H,37,43)(H,38,45)
Affinity DataKi:  0.141nMAssay Description:Displacement of [125I]BE2254 from human alpha1d receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
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(Rattus norvegicus (rat))
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]LSD from rat recombinant 5-HT7 receptor expressed in HEK293 cell membranes incubated for 60 mins by radioligand binding assayMore 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
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50006952(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
Affinity DataKi:  0.269nMAssay Description:Binding affinity to adrenergic alpha1A receptorMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50006952(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
Affinity DataKi:  0.269nMAssay Description:Displacement of [125I]BE-2254 from human adrenergic alpha1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Università di Catania

Curated by ChEMBL
LigandPNGBDBM50262744(2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]th...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3ccccc3n2C)CC1
Show InChI InChI=1S/C22H28N4OS/c1-24-19-9-4-3-8-18(19)23-22(24)28-17-7-12-25-13-15-26(16-14-25)20-10-5-6-11-21(20)27-2/h3-6,8-11H,7,12-17H2,1-2H3
Affinity DataKi:  0.270nMAssay Description:Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampusMore 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(Rattus norvegicus (rat))
Università di Catania

Curated by ChEMBL
LigandPNGBDBM50262787(2-[[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]thi...)
Show SMILES COc1ccccc1N1CCN(CCCCSc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C22H27N3OS2/c1-26-20-10-4-3-9-19(20)25-15-13-24(14-16-25)12-6-7-17-27-22-23-18-8-2-5-11-21(18)28-22/h2-5,8-11H,6-7,12-17H2,1H3
Affinity DataKi:  0.270nMAssay Description:Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampusMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Università di Catania

Curated by ChEMBL
LigandPNGBDBM50263290(2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]th...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C21H25N3OS2/c1-25-19-9-4-3-8-18(19)24-14-12-23(13-15-24)11-6-16-26-21-22-17-7-2-5-10-20(17)27-21/h2-5,7-10H,6,11-16H2,1H3
Affinity DataKi:  0.290nMAssay Description:Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampusMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50023188(CHEMBL3298750)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C35H38N6O5S/c1-46-28-11-6-5-10-27(28)40-19-16-39(17-20-40)18-21-41-34(44)33-32(38-35(41)45)26-22-25(14-15-29(26)47-33)37-31(43)13-7-12-30(42)36-23-24-8-3-2-4-9-24/h2-6,8-11,14-15,22H,7,12-13,16-21,23H2,1H3,(H,36,42)(H,37,43)(H,38,45)
Affinity DataKi:  0.324nMAssay Description:Displacement of [125I]BE2254 from human alpha1a receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50532897(CHEMBL4572955)
Show SMILES O=C(CCN1CCN(Cc2ccccc2)CC1)NCc1ccccc1
Show InChI InChI=1S/C21H27N3O/c25-21(22-17-19-7-3-1-4-8-19)11-12-23-13-15-24(16-14-23)18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,22,25)
Affinity DataKi:  0.340nMAssay Description:Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cell membranes after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50532897(CHEMBL4572955)
Show SMILES O=C(CCN1CCN(Cc2ccccc2)CC1)NCc1ccccc1
Show InChI InChI=1S/C21H27N3O/c25-21(22-17-19-7-3-1-4-8-19)11-12-23-13-15-24(16-14-23)18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,22,25)
Affinity DataKi:  0.340nMAssay Description:Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cell membranes after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50006952(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
Affinity DataKi:  0.363nMAssay Description:Displacement of [125I]BE-2254 from human adrenergic Alpha-1D receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50006952(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
Affinity DataKi:  0.363nMAssay Description:Binding affinity to adrenergic Alpha-1D receptorMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50023187(CHEMBL3298749)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C34H36N6O5S/c1-45-27-10-6-5-9-26(27)39-18-15-38(16-19-39)17-20-40-33(43)32-31(37-34(40)44)25-21-24(11-12-28(25)46-32)36-30(42)14-13-29(41)35-22-23-7-3-2-4-8-23/h2-12,21H,13-20,22H2,1H3,(H,35,41)(H,36,42)(H,37,44)
Affinity DataKi:  0.372nMAssay Description:Displacement of [125I]BE2254 from human alpha1d receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50023200(CHEMBL220221)
Show SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4sc3c2=O)CC1
Show InChI InChI=1S/C24H26N4O2S/c1-17-25-22-18-7-3-6-10-21(18)31-23(22)24(29)28(17)16-13-26-11-14-27(15-12-26)19-8-4-5-9-20(19)30-2/h3-10H,11-16H2,1-2H3
Affinity DataKi:  0.398nMAssay Description:Displacement of [125I]BE2254 from human alpha1d receptor expressed in HEK293 cellsMore 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
LigandPNGBDBM50458532(CHEMBL4216782)
Show SMILES CN(C)CCc1cc(ccc1O)-c1c(C)nn(C)c1C
Show InChI InChI=1S/C16H23N3O/c1-11-16(12(2)19(5)17-11)14-6-7-15(20)13(10-14)8-9-18(3)4/h6-7,10,20H,8-9H2,1-5H3
Affinity DataKi:  0.470nMAssay Description:Binding affinity to 5-HT7 receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50418765(CHEMBL1796046)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(CC2=O)c2ccccc2)CC1
Show InChI InChI=1S/C27H35N3O3/c1-27(22-10-4-3-5-11-22)20-25(31)30(26(32)21-27)15-9-8-14-28-16-18-29(19-17-28)23-12-6-7-13-24(23)33-2/h3-7,10-13H,8-9,14-21H2,1-2H3
Affinity DataKi:  0.501nMAssay Description:Antagonist activity against human cloned adrenergic Alpha-1D receptor expressed in HEK293 cells assessed as inhibition of norepinephrine-induced [3H]...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Università di Catania

Curated by ChEMBL
LigandPNGBDBM50262790(2-[[6-[4-(2-Methoxyphenyl)-1-piperazinyl]hexyl]thi...)
Show SMILES COc1ccccc1N1CCN(CCCCCCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C24H31N3O2S/c1-28-23-13-7-5-11-21(23)27-17-15-26(16-18-27)14-8-2-3-9-19-30-24-25-20-10-4-6-12-22(20)29-24/h4-7,10-13H,2-3,8-9,14-19H2,1H3
Affinity DataKi:  0.520nMAssay Description:Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampusMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Università di Catania

Curated by ChEMBL
LigandPNGBDBM50262578(2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]th...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C21H25N3O2S/c1-25-20-10-5-3-8-18(20)24-14-12-23(13-15-24)11-6-16-27-21-22-17-7-2-4-9-19(17)26-21/h2-5,7-10H,6,11-16H2,1H3
Affinity DataKi:  0.550nMAssay Description:Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampusMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50023183(CHEMBL3298745)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)c5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C30H29N5O4S/c1-39-24-10-6-5-9-23(24)34-16-13-33(14-17-34)15-18-35-29(37)27-26(32-30(35)38)22-19-21(11-12-25(22)40-27)31-28(36)20-7-3-2-4-8-20/h2-12,19H,13-18H2,1H3,(H,31,36)(H,32,38)
Affinity DataKi:  0.575nMAssay Description:Displacement of [125I]BE2254 from human alpha1d receptor expressed in HEK293 cellsMore 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 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50139355(2-(6-Phenylpyridin-2-ylthio)-N,N-dimethylethan-ami...)
Show SMILES CN(C)CCSc1cccc(n1)-c1ccccc1
Show InChI InChI=1S/C15H18N2S/c1-17(2)11-12-18-15-10-6-9-14(16-15)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
Affinity DataKi:  0.600nMAssay Description:Binding affinity to 5HT7 receptor (unknown origin) assessed as inhibitory constantMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50004891(CHEMBL2164327)
Show SMILES CN(C)[C@H]1CCc2c(C1)cccc2-c1c(C)nn(C)c1C
Show InChI InChI=1S/C18H25N3/c1-12-18(13(2)21(5)19-12)17-8-6-7-14-11-15(20(3)4)9-10-16(14)17/h6-8,15H,9-11H2,1-5H3/t15-/m0/s1
Affinity DataKi:  0.600nMAssay Description:Binding affinity to 5-HT7 receptor (unknown origin)More 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:  0.710nMAssay Description:Displacement of [3H]-8-OH-DPAT from human 5-HT7 receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysisMore 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:  0.710nMAssay Description:Displacement of [3H]-5-HT from human 5-HT7 receptor expressed in CHOK1 cell membranes 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:  0.710nMAssay Description:Displacement of [3H]-5-HT from human 5-HT7 receptor expressed in CHOK1 cell membranes 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:  0.710nMAssay Description:Displacement of [3H]-5-HT from recombinant human 5-HT7A receptor expressed in CHOK1 cell membranes after 40 mins by liquid scintillation counting met...More data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50023196(CHEMBL3298023)
Show SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)CCCC(=O)NCCc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C37H42N6O4S/c1-26-39-35-29-25-28(40-34(45)14-8-13-33(44)38-18-17-27-9-4-3-5-10-27)15-16-32(29)48-36(35)37(46)43(26)24-21-41-19-22-42(23-20-41)30-11-6-7-12-31(30)47-2/h3-7,9-12,15-16,25H,8,13-14,17-24H2,1-2H3,(H,38,44)(H,40,45)
Affinity DataKi:  0.759nMAssay Description:Displacement of [125I]BE2254 from human alpha1d receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
University of Catania

Curated by ChEMBL
LigandPNGBDBM50524440(CHEMBL4441396)
Show SMILES Clc1ccc2sc(=O)n(CCCCN3CCCCCC3)c2c1
Show InChI InChI=1S/C17H23ClN2OS/c18-14-7-8-16-15(13-14)20(17(21)22-16)12-6-5-11-19-9-3-1-2-4-10-19/h7-8,13H,1-6,9-12H2
Affinity DataKi:  0.780nMAssay Description:Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 150 mins by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Università di Catania

Curated by ChEMBL
LigandPNGBDBM50262582(2-[[3-[4-(Pyridin-2-yl)-1-piperazinyl]propyl]thio]...)
Show SMILES C(CSc1nc2ccccc2s1)CN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H22N4S2/c1-2-7-17-16(6-1)21-19(25-17)24-15-5-10-22-11-13-23(14-12-22)18-8-3-4-9-20-18/h1-4,6-9H,5,10-15H2
Affinity DataKi:  0.780nMAssay Description:Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampusMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50023188(CHEMBL3298750)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C35H38N6O5S/c1-46-28-11-6-5-10-27(28)40-19-16-39(17-20-40)18-21-41-34(44)33-32(38-35(41)45)26-22-25(14-15-29(26)47-33)37-31(43)13-7-12-30(42)36-23-24-8-3-2-4-9-24/h2-6,8-11,14-15,22H,7,12-13,16-21,23H2,1H3,(H,36,42)(H,37,43)(H,38,45)
Affinity DataKi:  0.832nMAssay Description:Displacement of [125I]BE2254 from human alpha1b receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50504202(CHEMBL4443201)
Show SMILES O=c1[nH]c(CCCCN2CCN(CC2)c2ccccc2)nc2ccsc12
Show InChI InChI=1S/C20H24N4OS/c25-20-19-17(9-15-26-19)21-18(22-20)8-4-5-10-23-11-13-24(14-12-23)16-6-2-1-3-7-16/h1-3,6-7,9,15H,4-5,8,10-14H2,(H,21,22,25)
Affinity DataKi:  0.850nMAssay Description:Displacement of [3H]-5-HT from human 5HT7 receptor expressed in CHO-K1 cells incubated for 40 mins in presence of serotonin by liquid scintillation c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Università di Catania

Curated by ChEMBL
LigandPNGBDBM50262746(5-Chloro-2-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3cc(Cl)ccc3o2)CC1
Show InChI InChI=1S/C21H24ClN3O2S/c1-26-20-6-3-2-5-18(20)25-12-10-24(11-13-25)9-4-14-28-21-23-17-15-16(22)7-8-19(17)27-21/h2-3,5-8,15H,4,9-14H2,1H3
Affinity DataKi:  0.880nMAssay Description:Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampusMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50403163(OXITRIPTAN)
Show SMILES N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O
Show InChI InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
Affinity DataKi:  0.910nMAssay Description:Displacement of [3H]-5-HT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysisMore 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 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:  0.910nMAssay Description:Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cell membranes 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:  0.910nMAssay Description:Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cell membranes after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50023184(CHEMBL3298746)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)Cc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C31H31N5O4S/c1-40-25-10-6-5-9-24(25)35-16-13-34(14-17-35)15-18-36-30(38)29-28(33-31(36)39)23-20-22(11-12-26(23)41-29)32-27(37)19-21-7-3-2-4-8-21/h2-12,20H,13-19H2,1H3,(H,32,37)(H,33,39)
Affinity DataKi:  0.912nMAssay Description:Displacement of [125I]BE2254 from human alpha1d receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50023196(CHEMBL3298023)
Show SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)CCCC(=O)NCCc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C37H42N6O4S/c1-26-39-35-29-25-28(40-34(45)14-8-13-33(44)38-18-17-27-9-4-3-5-10-27)15-16-32(29)48-36(35)37(46)43(26)24-21-41-19-22-42(23-20-41)30-11-6-7-12-31(30)47-2/h3-7,9-12,15-16,25H,8,13-14,17-24H2,1-2H3,(H,38,44)(H,40,45)
Affinity DataKi:  0.912nMAssay Description:Displacement of [125I]BE2254 from human alpha1a receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

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:  0.930nMAssay Description:Binding affinity to 5-HT7 receptor (unknown origin)More data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50023189(CHEMBL3297829)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)N(C)Cc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C36H40N6O5S/c1-39(24-25-9-4-3-5-10-25)32(44)14-8-13-31(43)37-26-15-16-30-27(23-26)33-34(48-30)35(45)42(36(46)38-33)22-19-40-17-20-41(21-18-40)28-11-6-7-12-29(28)47-2/h3-7,9-12,15-16,23H,8,13-14,17-22,24H2,1-2H3,(H,37,43)(H,38,46)
Affinity DataKi:  0.933nMAssay Description:Displacement of [125I]BE2254 from human alpha1a receptor expressed in HEK293 cellsMore 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 1A(Rattus norvegicus (rat))
Università di Catania

Curated by ChEMBL
LigandPNGBDBM50262745(5-Chloro-2-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3cc(Cl)ccc3s2)CC1
Show InChI InChI=1S/C21H24ClN3OS2/c1-26-19-6-3-2-5-18(19)25-12-10-24(11-13-25)9-4-14-27-21-23-17-15-16(22)7-8-20(17)28-21/h2-3,5-8,15H,4,9-14H2,1H3
Affinity DataKi:  1nMAssay Description:Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampusMore data for this Ligand-Target Pair
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