Compile Data Set for Download or QSAR
Found 841 with Last Name = 'pittalą' and Initial = 'v'
TargetMu-type opioid receptor(Homo sapiens (Human))
University of Catania

Curated by ChEMBL
LigandPNGBDBM50528960(CHEMBL4450250)
Show SMILES C[C@@H](N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C(=C)C(N)=O)c1ccccc1
Show InChI InChI=1S/C36H42N6O5/c1-20-15-26(43)16-21(2)28(20)18-29(37)36(47)42(5)23(4)34(45)40-31(17-25-19-39-30-14-10-9-13-27(25)30)35(46)41-32(22(3)33(38)44)24-11-7-6-8-12-24/h6-16,19,23,29,31-32,39,43H,3,17-18,37H2,1-2,4-5H3,(H2,38,44)(H,40,45)(H,41,46)/t23-,29?,31+,32?/m1/s1
Affinity DataKi:  0.0109nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
University of Catania

Curated by ChEMBL
LigandPNGBDBM50528967(CHEMBL4439415)
Show SMILES C[C@@H](N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C(=C)C(N)=O)c1ccco1
Show InChI InChI=1S/C34H40N6O6/c1-18-13-23(41)14-19(2)25(18)16-26(35)34(45)40(5)21(4)32(43)38-28(15-22-17-37-27-10-7-6-9-24(22)27)33(44)39-30(20(3)31(36)42)29-11-8-12-46-29/h6-14,17,21,26,28,30,37,41H,3,15-16,35H2,1-2,4-5H3,(H2,36,42)(H,38,43)(H,39,44)/t21-,26?,28+,30?/m1/s1
Affinity DataKi:  0.0109nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
University of Catania

Curated by ChEMBL
LigandPNGBDBM50528966(CHEMBL4521879)
Show SMILES C[C@@H](N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C(=C)C(N)=O)c1ccccc1
Show InChI InChI=1S/C34H41N5O5/c1-20-16-26(40)17-21(2)27(20)19-28(35)34(44)39(5)23(4)32(42)37-29(18-24-12-8-6-9-13-24)33(43)38-30(22(3)31(36)41)25-14-10-7-11-15-25/h6-17,23,28-30,40H,3,18-19,35H2,1-2,4-5H3,(H2,36,41)(H,37,42)(H,38,43)/t23-,28?,29+,30?/m1/s1
Affinity DataKi:  0.0109nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
University of Catania

Curated by ChEMBL
LigandPNGBDBM50528965(CHEMBL4550234)
Show SMILES C[C@@H](N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C(=C)C(N)=O)c1ccco1
Show InChI InChI=1S/C32H39N5O6/c1-18-14-23(38)15-19(2)24(18)17-25(33)32(42)37(5)21(4)30(40)35-26(16-22-10-7-6-8-11-22)31(41)36-28(20(3)29(34)39)27-12-9-13-43-27/h6-15,21,25-26,28,38H,3,16-17,33H2,1-2,4-5H3,(H2,34,39)(H,35,40)(H,36,41)/t21-,25?,26+,28?/m1/s1
Affinity DataKi:  0.0109nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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
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
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50476083(CHEMBL220515)
Show SMILES COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C24H26ClN5O2/c1-16-26-22-18-5-3-4-6-19(18)27-23(22)24(31)30(16)14-11-28-9-12-29(13-10-28)20-15-17(25)7-8-21(20)32-2/h3-8,15,27H,9-14H2,1-2H3
Affinity DataKi:  0.166nMAssay Description:Displacement of [125I]BE2254 from human cloned adrenergic alpha 1D receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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 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 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
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:  0.288nMAssay Description:Displacement of [125I]BE2254 from human cloned adrenergic alpha 1A receptor expressed in HEK293 cellsMore 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]BE2254 from human cloned 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
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
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 cloned 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
LigandPNGBDBM50476084(CHEMBL99142)
Show SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4nc3c2O)CC1
Show InChI InChI=1S/C24H27N5O2/c1-17-25-22-18-7-3-4-8-19(18)26-23(22)24(30)29(17)16-13-27-11-14-28(15-12-27)20-9-5-6-10-21(20)31-2/h3-10,30H,11-16H2,1-2H3
Affinity DataKi:  0.407nMAssay Description:Displacement of [125I]BE2254 from human cloned adrenergic alpha 1D receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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
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
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
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
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
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]-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
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
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
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50476087(CHEMBL222896)
Show SMILES COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c4ccccc4sc3c2=O)CC1
Show InChI InChI=1S/C24H25ClN4O2S/c1-16-26-22-18-5-3-4-6-21(18)32-23(22)24(30)29(16)14-11-27-9-12-28(13-10-27)19-15-17(25)7-8-20(19)31-2/h3-8,15H,9-14H2,1-2H3
Affinity DataKi:  0.832nMAssay Description:Displacement of [125I]BE2254 from human cloned adrenergic alpha 1D receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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(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
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
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(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50066014(CHEMBL3401488)
Show SMILES CCOc1ccccc1N1CCN(CCCCCn2cnc3ccccc3c2=O)CC1
Show InChI InChI=1S/C25H32N4O2/c1-2-31-24-13-7-6-12-23(24)28-18-16-27(17-19-28)14-8-3-9-15-29-20-26-22-11-5-4-10-21(22)25(29)30/h4-7,10-13,20H,2-3,8-9,14-19H2,1H3
Affinity DataKi:  1nMAssay 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
LigandPNGBDBM50066019(CHEMBL3401493)
Show SMILES CCOc1ccccc1N1CCN(CCCCCn2cnc3sc(C)c(C)c3c2=O)CC1
Show InChI InChI=1S/C25H34N4O2S/c1-4-31-22-11-7-6-10-21(22)28-16-14-27(15-17-28)12-8-5-9-13-29-18-26-24-23(25(29)30)19(2)20(3)32-24/h6-7,10-11,18H,4-5,8-9,12-17H2,1-3H3
Affinity DataKi:  1nMAssay 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
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50023197(CHEMBL3298024)
Show SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)CCCNC(=O)Cc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C36H40N6O4S/c1-25-38-34-28-24-27(39-32(43)13-8-16-37-33(44)23-26-9-4-3-5-10-26)14-15-31(28)47-35(34)36(45)42(25)22-19-40-17-20-41(21-18-40)29-11-6-7-12-30(29)46-2/h3-7,9-12,14-15,24H,8,13,16-23H2,1-2H3,(H,37,44)(H,39,43)
Affinity DataKi:  1nMAssay Description:Displacement of [125I]BE2254 from human alpha1a receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Universit£ di Catania

Curated by ChEMBL
LigandPNGBDBM50023190(CHEMBL3298017)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCCc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C36H40N6O5S/c1-47-29-11-6-5-10-28(29)41-21-18-40(19-22-41)20-23-42-35(45)34-33(39-36(42)46)27-24-26(14-15-30(27)48-34)38-32(44)13-7-12-31(43)37-17-16-25-8-3-2-4-9-25/h2-6,8-11,14-15,24H,7,12-13,16-23H2,1H3,(H,37,43)(H,38,44)(H,39,46)
Affinity DataKi:  1nMAssay 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
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:  1.10nMAssay Description:Displacement of [125I]BE2254 from human alpha1a receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
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