Compile Data Set for Download or QSAR
Found 3854 with Last Name = 'bojarski' and Initial = 'aj'
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Polish Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataKi:  0.0800nMAssay Description:Displacement of [125I]RTI55 binding from human wild type SERTMore 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
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462179(CHEMBL4245263)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cncc3ccccc23)CC1
Show InChI InChI=1S/C27H29FN4O3S/c28-21-7-8-24-25(16-21)35-30-27(24)19-9-13-31(14-10-19)15-11-22-5-3-12-32(22)36(33,34)26-18-29-17-20-4-1-2-6-23(20)26/h1-2,4,6-8,16-19,22H,3,5,9-15H2/t22-/m0/s1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Medical University of Warsaw

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Show SMILES O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)
Affinity DataKi:  0.120nMAssay Description:Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462156(CHEMBL4246655)
Show SMILES O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cncc2ccccc12
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-19-27-18-20-6-1-2-8-22(20)25)31-12-5-7-21(31)11-13-29-14-16-30(17-15-29)26-23-9-3-4-10-24(23)34-28-26/h1-4,6,8-10,18-19,21H,5,7,11-17H2/t21-/m0/s1
Affinity DataKi:  0.140nMAssay Description:Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Polish Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50063266(6-Nitro-2-piperazin-1-yl-quinoline | 6-nitroquipaz...)
Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1
Show InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2
Affinity DataKi:  0.170nMAssay Description:Displacement of [3H]-5HT from human SERTMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Medical University of Warsaw

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 6(Homo sapiens (Human))
Palack£ University

Curated by ChEMBL
LigandPNGBDBM50291284(CHEMBL4170220)
Show SMILES CN([C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1)C(N)=O
Show InChI InChI=1S/C18H19FN2O3S/c1-21(18(20)22)17-7-2-4-12-10-15(8-9-16(12)17)25(23,24)14-6-3-5-13(19)11-14/h3,5-6,8-11,17H,2,4,7H2,1H3,(H2,20,22)/t17-/m1/s1
Affinity DataKi:  0.200nMAssay Description:Binding affinity to 5HT6R (unknown origin)More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Medical University of Warsaw

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 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-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by beta-countingMore 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-CT from human 5HT7 receptor expressed in HEK293 cells after 1 hrMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 6(RAT)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50318633(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
Affinity DataKi:  0.234nMAssay Description:Displacement of [3H]Lu AE60157 from rat brain 5-HT6 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 6(RAT)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50318633(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
Affinity DataKi:  0.234nMAssay Description:Displacement of [3H]Lu AE60157 from rat brain 5-HT6 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Medical University of Warsaw

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
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 6(Homo sapiens (Human))
Palack£ University

Curated by ChEMBL
LigandPNGBDBM50318633(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
Affinity DataKi:  0.280nMAssay Description:Binding affinity to 5HT6R (unknown origin)More 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
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50307501((6S)-N,N-dipropyl-5,6,7,8-tetrahydro-1,1'-binaphth...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1cccc2ccccc12
Show InChI InChI=1S/C26H31N/c1-3-17-27(18-4-2)22-15-16-24-21(19-22)11-8-14-26(24)25-13-7-10-20-9-5-6-12-23(20)25/h5-14,22H,3-4,15-19H2,1-2H3/t22-/m0/s1
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]5CT from human cloned 5HT7B receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50393371(CHEMBL2159465)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H29FN2O3S/c1-17(2)21-5-3-4-6-22(21)28-16-15-25-13-11-19(12-14-25)24-29(26,27)20-9-7-18(23)8-10-20/h3-10,17,19,24H,11-16H2,1-2H3
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cells after 1 hrMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Palack£ University

Curated by ChEMBL
LigandPNGBDBM50291286(CHEMBL4169827)
Show SMILES O=S(=O)(c1ccccc1)n1ncc2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C17H18N4O2S/c22-24(23,14-5-2-1-3-6-14)21-17-8-4-7-16(15(17)13-19-21)20-11-9-18-10-12-20/h1-8,13,18H,9-12H2
Affinity DataKi:  0.300nMAssay Description:Binding affinity to 5HT6R (unknown origin)More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462155(CHEMBL4239091)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cnccc12
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-9-3-5-20-19-27-12-10-22(20)25)31-13-4-6-21(31)11-14-29-15-17-30(18-16-29)26-23-7-1-2-8-24(23)34-28-26/h1-3,5,7-10,12,19,21H,4,6,11,13-18H2/t21-/m1/s1
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Show SMILES O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Palack£ University

Curated by ChEMBL
LigandPNGBDBM50174269(1-(phenylsulfonyl)-4-(piperazin-1-yl)-1H-indole | ...)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C18H19N3O2S/c22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20/h1-9,12,19H,10-11,13-14H2
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells measured after 1 hr by microbeta plate reader methodMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.340nMAssay Description:Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Medical University of Warsaw

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Show SMILES O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)
Affinity DataKi:  0.398nMAssay Description:Binding affinity to 5-HT2BR (unknown origin)More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

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:  0.400nMAssay Description:Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50462179(CHEMBL4245263)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cncc3ccccc23)CC1
Show InChI InChI=1S/C27H29FN4O3S/c28-21-7-8-24-25(16-21)35-30-27(24)19-9-13-31(14-10-19)15-11-22-5-3-12-32(22)36(33,34)26-18-29-17-20-4-1-2-6-23(20)26/h1-2,4,6-8,16-19,22H,3,5,9-15H2/t22-/m0/s1
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Medical University of Warsaw

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 2A(Homo sapiens (Human))
Medical University of Warsaw

Curated by ChEMBL
LigandPNGBDBM194780(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Show SMILES O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)
Affinity DataKi:  0.470nMAssay Description:Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in rat cortex tissue incubated for 30 mins by liquid scintillation counting meth...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50443101(Cariprazine | RGH-188)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
Affinity DataKi:  0.490nMAssay Description:Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Palack£ University

Curated by ChEMBL
LigandPNGBDBM50044615(CHEMBL3329435)
Show SMILES Cc1nc2c(cccc2n1S(=O)(=O)c1ccccc1)N1CCNCC1
Show InChI InChI=1S/C18H20N4O2S/c1-14-20-18-16(21-12-10-19-11-13-21)8-5-9-17(18)22(14)25(23,24)15-6-3-2-4-7-15/h2-9,19H,10-13H2,1H3
Affinity DataKi:  0.5nMAssay Description:Binding affinity to 5HT6R (unknown origin)More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM85222(CAS_441351-20-8 | Lurasidone | SM 13496)
Show SMILES O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Medical University of Warsaw

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:  0.5nMAssay Description:Displacement of [3H]-ketanserin from human 5-HT2AR expressed in CHO-K1 cell membranes after 1.5 hrs by microbeta counting methodMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462148(CHEMBL4242392)
Show SMILES O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cnccc12
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-9-3-5-20-19-27-12-10-22(20)25)31-13-4-6-21(31)11-14-29-15-17-30(18-16-29)26-23-7-1-2-8-24(23)34-28-26/h1-3,5,7-10,12,19,21H,4,6,11,13-18H2/t21-/m0/s1
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta 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
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
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

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]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by beta-countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

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]-5-CT from human 5-HT7b receptor expressed in HEK293 cells after 1 hrMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

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:  0.600nMAssay Description:Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Università 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:Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippocampus) using [3H]-8-OH-DPATMore 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(Rattus norvegicus (rat))
Università 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:In vitro ability to displace the radioligand [3H]-OH-DPAT from binding to rat 5-hydroxytryptamine 1A receptorChecked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Palack£ University

Curated by ChEMBL
LigandPNGBDBM28583(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
Affinity DataKi:  0.631nMAssay Description:Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells after 1 hr by liquid scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50139351(2-(6-cyclohexylpyridin-2-ylthio)-N,N-dimethylethan...)
Show SMILES CN(C)CCSc1cccc(n1)C1CCCCC1
Show InChI InChI=1S/C15H24N2S/c1-17(2)11-12-18-15-10-6-9-14(16-15)13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3
Affinity DataKi:  0.700nMAssay Description:Displacement of [3H]5CT from human cloned 5HT7B receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Palack£ University

Curated by ChEMBL
LigandPNGBDBM50419052(SB-399885)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C18H21Cl2N3O4S/c1-26-17-4-3-13(11-16(17)23-7-5-21-6-8-23)28(24,25)22-15-10-12(19)9-14(20)18(15)27-2/h3-4,9-11,21-22H,5-8H2,1-2H3
Affinity DataKi:  0.700nMAssay Description:Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting methodMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462142(CHEMBL4242858)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2ncccc12
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-11-3-9-23-21(25)8-4-13-27-23)31-14-5-6-20(31)12-15-29-16-18-30(19-17-29)26-22-7-1-2-10-24(22)34-28-26/h1-4,7-11,13,20H,5-6,12,14-19H2/t20-/m1/s1
Affinity DataKi:  0.700nMAssay Description:Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Palack£ University

Curated by ChEMBL
LigandPNGBDBM50419052(SB-399885)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C18H21Cl2N3O4S/c1-26-17-4-3-13(11-16(17)23-7-5-21-6-8-23)28(24,25)22-15-10-12(19)9-14(20)18(15)27-2/h3-4,9-11,21-22H,5-8H2,1-2H3
Affinity DataKi:  0.724nMAssay Description:Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cellsMore data for this Ligand-Target Pair
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
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