Compile Data Set for Download or QSAR
Found 1446 with Last Name = 'cagnotto' and Initial = 'a'
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
TargetD(3) dopamine receptor(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50265775(CHEMBL462508 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C24H26Cl2N4O/c25-20-8-5-9-22(23(20)26)30-14-12-29(13-15-30)11-4-3-10-27-24(31)21-16-18-6-1-2-7-19(18)17-28-21/h1-2,5-9,16-17H,3-4,10-15H2,(H,27,31)
Affinity DataKi:  0.0990nMAssay Description:Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometryMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50265375(CHEMBL496531 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCN3CCn4c(cc5ccccc45)C3=O)CC2)c1Cl
Show InChI InChI=1S/C25H28Cl2N4O/c26-20-7-5-9-22(24(20)27)29-14-12-28(13-15-29)10-3-4-11-30-16-17-31-21-8-2-1-6-19(21)18-23(31)25(30)32/h1-2,5-9,18H,3-4,10-17H2
Affinity DataKi:  0.105nMAssay Description:Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM50007568(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
Affinity DataKi:  0.140nMAssay Description:In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in rat tissue homogenate using [3H]ketanserin as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM50007568(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
Affinity DataKi:  0.140nMAssay Description:Half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex homogenateMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50265445(3-[5-[4-(2,3-Dichlorophenyl)piperazin-1-yl]pentylo...)
Show SMILES Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O/c25-21-9-6-10-22(24(21)26)29-14-12-28(13-15-29)11-4-1-5-16-30-23-17-19-7-2-3-8-20(19)18-27-23/h2-3,6-10,17-18H,1,4-5,11-16H2
Affinity DataKi:  0.140nMAssay Description:Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM50001885((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
Affinity DataKi:  0.150nMAssay Description:Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM50001885((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
Affinity DataKi:  0.150nMAssay Description:Binding affinity to 5HT2A receptor (unknown origin)More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Università di Catania

Curated by ChEMBL
LigandPNGBDBM50056378(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3
Affinity DataKi:  0.160nMAssay Description:Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranesMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50131925(1H-Indole-2-carboxylic acid {4-[4-(2,4-dichloro-ph...)
Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-8-22(19(25)16-18)29-13-11-28(12-14-29)10-4-3-9-26-23(30)21-15-17-5-1-2-6-20(17)27-21/h1-2,5-8,15-16,27H,3-4,9-14H2,(H,26,30)
Affinity DataKi:  0.180nMAssay Description:Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometryMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Rattus norvegicus (Rat))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50131925(1H-Indole-2-carboxylic acid {4-[4-(2,4-dichloro-ph...)
Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-8-22(19(25)16-18)29-13-11-28(12-14-29)10-4-3-9-26-23(30)21-15-17-5-1-2-6-20(17)27-21/h1-2,5-8,15-16,27H,3-4,9-14H2,(H,26,30)
Affinity DataKi:  0.180nMAssay Description:Binding affinity for rat striatum Dopamine receptor D3 (sf9 cells) by [3H]7-OH-DPAT displacement.More 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(Rattus norvegicus (rat))
Università di Catania

Curated by ChEMBL
LigandPNGBDBM50088696(3-Amino-6-ethyl-2-{3-[4-(2-methoxy-phenyl)-piperaz...)
Show SMILES CCc1cc2c(nc(SCCCN3CCN(CC3)c3ccccc3OC)n(N)c2=O)s1
Show InChI InChI=1S/C22H29N5O2S2/c1-3-16-15-17-20(31-16)24-22(27(23)21(17)28)30-14-6-9-25-10-12-26(13-11-25)18-7-4-5-8-19(18)29-2/h4-5,7-8,15H,3,6,9-14,23H2,1-2H3
Affinity DataKi:  0.190nMAssay Description:Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranesMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50031465(CHEMBL3358104)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C24H27F3N4O/c25-24(26,27)19-7-5-8-20(17-19)31-14-12-30(13-15-31)11-4-3-10-28-23(32)22-16-18-6-1-2-9-21(18)29-22/h1-2,5-9,16-17,29H,3-4,10-15H2,(H,28,32)
Affinity DataKi:  0.200nMAssay Description:Binding affinity to dopamine D3 receptor (unknown origin)More 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 2A(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3
Affinity DataKi:  0.230nMAssay Description:Half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex homogenateMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Rattus norvegicus (Rat))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50137975(7-Bromo-9-(4-methyl-piperazin-1-yl)-4-thia-10a-aza...)
Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccc(Br)cc12
Show InChI InChI=1S/C17H18BrN3S/c1-19-7-9-20(10-8-19)15-12-21-6-2-3-17(21)22-16-5-4-13(18)11-14(15)16/h2-6,11-12H,7-10H2,1H3
Affinity DataKi:  0.25nMAssay Description:In vitro binding affinity towards Dopamine receptor D3 in Sf9 cell membranes using [3H]7-OH-DPAT as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Università di Catania

Curated by ChEMBL
LigandPNGBDBM50088686(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc4CCCc4c3c(=O)n2N)CC1
Show InChI InChI=1S/C23H29N5O2S2/c1-30-18-8-3-2-7-17(18)27-13-11-26(12-14-27)10-5-15-31-23-25-21-20(22(29)28(23)24)16-6-4-9-19(16)32-21/h2-3,7-8H,4-6,9-15,24H2,1H3
Affinity DataKi:  0.260nMAssay Description:Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranesMore 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
TargetD(3) dopamine receptor(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50265776(CHEMBL461236 | N-[4-[4-(3-Chlorophenyl)piperazin-1...)
Show SMILES Clc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C24H27ClN4O/c25-21-8-5-9-22(17-21)29-14-12-28(13-15-29)11-4-3-10-26-24(30)23-16-19-6-1-2-7-20(19)18-27-23/h1-2,5-9,16-18H,3-4,10-15H2,(H,26,30)
Affinity DataKi:  0.270nMAssay Description:Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometryMore 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(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
TargetD(3) dopamine receptor(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50031464(CHEMBL3358105)
Show SMILES Fc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H26FN3O2/c24-19-8-2-3-9-20(19)27-15-13-26(14-16-27)12-6-5-11-25-23(28)22-17-18-7-1-4-10-21(18)29-22/h1-4,7-10,17H,5-6,11-16H2,(H,25,28)
Affinity DataKi:  0.300nMAssay Description:Binding affinity to dopamine D3 receptor (unknown origin)More data for this Ligand-Target Pair
TargetHistamine H1 receptor(RAT)
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM35254(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
Affinity DataKi:  0.300nMAssay Description:Half-maximal inhibition of [3H]7-OH-DPAT binding to Histamine H1 receptor in rat tissue homogenateMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM50007567(1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...)
Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m1/s1
Affinity DataKi:  0.330nMAssay Description:In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in rat tissue homogenate using [3H]ketanserin as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM50007567(1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...)
Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m1/s1
Affinity DataKi:  0.330nMAssay Description:Half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex homogenateMore 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 2A(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM50137981(7-Chloro-9-(4-methyl-piperazin-1-yl)-4-thia-10a-az...)
Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H18ClN3S/c1-19-7-9-20(10-8-19)15-12-21-6-2-3-17(21)22-16-5-4-13(18)11-14(15)16/h2-6,11-12H,7-10H2,1H3
Affinity DataKi:  0.340nMAssay Description:In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in rat tissue homogenate using [3H]ketanserin as radioligandMore 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 2A(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM50137972(7-Fluoro-9-(4-methyl-piperazin-1-yl)-4-thia-10a-az...)
Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccc(F)cc12
Show InChI InChI=1S/C17H18FN3S/c1-19-7-9-20(10-8-19)15-12-21-6-2-3-17(21)22-16-5-4-13(18)11-14(15)16/h2-6,11-12H,7-10H2,1H3
Affinity DataKi:  0.350nMAssay Description:In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in rat tissue homogenate using [3H]ketanserin as radioligandMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50131930(5-Chloro-1H-indole-2-carboxylic acid {4-[4-(2,4-di...)
Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c(Cl)c1
Show InChI InChI=1S/C23H25Cl3N4O/c24-17-3-5-20-16(13-17)14-21(28-20)23(31)27-7-1-2-8-29-9-11-30(12-10-29)22-6-4-18(25)15-19(22)26/h3-6,13-15,28H,1-2,7-12H2,(H,27,31)
Affinity DataKi:  0.380nMAssay Description:Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometryMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Rattus norvegicus (Rat))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50131930(5-Chloro-1H-indole-2-carboxylic acid {4-[4-(2,4-di...)
Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c(Cl)c1
Show InChI InChI=1S/C23H25Cl3N4O/c24-17-3-5-20-16(13-17)14-21(28-20)23(31)27-7-1-2-8-29-9-11-30(12-10-29)22-6-4-18(25)15-19(22)26/h3-6,13-15,28H,1-2,7-12H2,(H,27,31)
Affinity DataKi:  0.380nMAssay Description:Binding affinity for rat striatum Dopamine receptor D3 (sf9 cells) by [3H]7-OH-DPAT displacement.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM50007568(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
Affinity DataKi:  0.400nMAssay Description:Half-maximal inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat striatal homogenateMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Rattus norvegicus (Rat))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50007568(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
Affinity DataKi:  0.400nMAssay Description:Half-maximal inhibition of [3H]-7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogenateMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM50007568(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
Affinity DataKi:  0.400nMAssay Description:In vitro binding affinity towards Dopamine receptor D2 in rat tissue homogenate using [3H]-spiperone as radioligandMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Rattus norvegicus (Rat))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50007568(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
Affinity DataKi:  0.400nMAssay Description:In vitro binding affinity towards Dopamine receptor D3 in Sf9 cell membranes using [3H]7-OH-DPAT as radioligandMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50031449(CHEMBL3358493)
Show SMILES Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C
Show InChI InChI=1S/C25H31N3O2/c1-19-8-7-10-22(20(19)2)28-16-14-27(15-17-28)13-6-5-12-26-25(29)24-18-21-9-3-4-11-23(21)30-24/h3-4,7-11,18H,5-6,12-17H2,1-2H3,(H,26,29)
Affinity DataKi:  0.400nMAssay Description:Binding affinity to dopamine D3 receptor (unknown origin)More data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Rattus norvegicus (Rat))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50131923(Benzofuran-2-carboxylic acid {4-[4-(2,4-dichloro-p...)
Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c(Cl)c1
Show InChI InChI=1S/C23H25Cl2N3O2/c24-18-7-8-20(19(25)16-18)28-13-11-27(12-14-28)10-4-3-9-26-23(29)22-15-17-5-1-2-6-21(17)30-22/h1-2,5-8,15-16H,3-4,9-14H2,(H,26,29)
Affinity DataKi:  0.410nMAssay Description:Binding affinity for rat striatum Dopamine receptor D3 (sf9 cells) by [3H]7-OH-DPAT displacement.More 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
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM50137981(7-Chloro-9-(4-methyl-piperazin-1-yl)-4-thia-10a-az...)
Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H18ClN3S/c1-19-7-9-20(10-8-19)15-12-21-6-2-3-17(21)22-16-5-4-13(18)11-14(15)16/h2-6,11-12H,7-10H2,1H3
Affinity DataKi:  0.430nMAssay Description:In vitro binding affinity towards Dopamine receptor D2 in rat tissue homogenate using [3H]-spiperone as radioligandMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM50137981(7-Chloro-9-(4-methyl-piperazin-1-yl)-4-thia-10a-az...)
Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H18ClN3S/c1-19-7-9-20(10-8-19)15-12-21-6-2-3-17(21)22-16-5-4-13(18)11-14(15)16/h2-6,11-12H,7-10H2,1H3
Affinity DataKi:  0.430nMAssay Description:Inhibition of [3H]-spiperone binding to rat dopamine D2 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(RAT)
European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL
LigandPNGBDBM50060685(9-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cccc(F)c2n2cccc12
Show InChI InChI=1S/C16H17FN4/c1-19-8-10-20(11-9-19)16-14-6-3-7-21(14)15-12(17)4-2-5-13(15)18-16/h2-7H,8-11H2,1H3
Affinity DataKi:  0.440nMAssay Description:Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenateMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM50137975(7-Bromo-9-(4-methyl-piperazin-1-yl)-4-thia-10a-aza...)
Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccc(Br)cc12
Show InChI InChI=1S/C17H18BrN3S/c1-19-7-9-20(10-8-19)15-12-21-6-2-3-17(21)22-16-5-4-13(18)11-14(15)16/h2-6,11-12H,7-10H2,1H3
Affinity DataKi:  0.450nMAssay Description:In vitro binding affinity towards Dopamine receptor D2 in rat tissue homogenate using [3H]-spiperone as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(RAT)
European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL
LigandPNGBDBM50299661(9-methyl-4-(4-((3H-imidazol-4-yl)methyl)piperazin-...)
Show SMILES Cc1cccc2nc(N3CCN(Cc4cnc[nH]4)CC3)c3cccn3c12
Show InChI InChI=1S/C20H22N6/c1-15-4-2-5-17-19(15)26-7-3-6-18(26)20(23-17)25-10-8-24(9-11-25)13-16-12-21-14-22-16/h2-7,12,14H,8-11,13H2,1H3,(H,21,22)
Affinity DataKi:  0.490nMAssay Description:Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenateMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Rattus norvegicus (Rat))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50131926(CHEMBL127400 | CHEMBL129022 | Isoquinoline-3-carbo...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-24-11-5-4-10-23(24)29-16-14-28(15-17-29)13-7-6-12-26-25(30)22-18-20-8-2-3-9-21(20)19-27-22/h2-5,8-11,18-19H,6-7,12-17H2,1H3,(H,26,30)
Affinity DataKi:  0.490nMAssay Description:Binding affinity for rat striatum Dopamine receptor D3 (sf9 cells) by [3H]7-OH-DPAT displacement.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3
Affinity DataKi:  0.5nMAssay Description:Half-maximal inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat striatal homogenateMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM50137976(9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f...)
Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12
Show InChI InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3
Affinity DataKi:  0.5nMAssay Description:In vitro binding affinity towards alpha-1 adrenergic receptor in rat frontal cortex homogenate using of [3H]prazosin as radioligandMore 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
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