Compile Data Set for Download or QSAR
Found 602 Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 5A'
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148155(US8962612, 26)
Show SMILES NC(N)=NC(=O)N1CCc2c(F)ccc(c2C1)-c1c(F)cc(F)cc1F
Show InChI InChI=1S/C17H14F4N4O/c18-8-5-13(20)15(14(21)6-8)10-1-2-12(19)9-3-4-25(7-11(9)10)17(26)24-16(22)23/h1-2,5-6H,3-4,7H2,(H4,22,23,24,26)
Affinity DataKi:  0.680nM ΔG°:  -54.4kJ/molepH: 7.4 T: 2°CAssay Description:A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148163(US8962612, 66)
Show SMILES NC(N)=NC(=O)N1Cc2c(ccc(F)c2C2(CC2)C1)-c1c(F)cccc1F
Show InChI InChI=1S/C19H17F3N4O/c20-12-2-1-3-13(21)15(12)10-4-5-14(22)16-11(10)8-26(9-19(16)6-7-19)18(27)25-17(23)24/h1-5H,6-9H2,(H4,23,24,25,27)
Affinity DataKi:  0.75nM ΔG°:  -54.2kJ/molepH: 7.4 T: 2°CAssay Description:A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
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:  0.780nMAssay Description:Binding affinity to 5HT5A receptor (unknown origin)More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148169(US8962612, 80)
Show SMILES NC(N)=NC(=O)N1Cc2c(ccc(F)c2C2(CC2)C1)-c1ccc(F)cc1F
Show InChI InChI=1S/C19H17F3N4O/c20-10-1-2-12(15(22)7-10)11-3-4-14(21)16-13(11)8-26(9-19(16)5-6-19)18(27)25-17(23)24/h1-4,7H,5-6,8-9H2,(H4,23,24,25,27)
Affinity DataKi:  0.850nM ΔG°:  -53.9kJ/molepH: 7.4 T: 2°CAssay Description:A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148165(US8962612, 74)
Show SMILES NC(N)=NC(=O)N1Cc2c(ccc(F)c2C2(CC2)C1)-c1c(F)cc(F)cc1F
Show InChI InChI=1S/C19H16F4N4O/c20-9-5-13(22)15(14(23)6-9)10-1-2-12(21)16-11(10)7-27(8-19(16)3-4-19)18(28)26-17(24)25/h1-2,5-6H,3-4,7-8H2,(H4,24,25,26,28)
Affinity DataKi:  0.880nM ΔG°:  -53.8kJ/molepH: 7.4 T: 2°CAssay Description:A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148171(US8962612, 86)
Show SMILES NC(N)=NC(=O)N1Cc2c(ccc(F)c2C2(CC2)C1)-c1ccccc1F
Show InChI InChI=1S/C19H18F2N4O/c20-14-4-2-1-3-12(14)11-5-6-15(21)16-13(11)9-25(10-19(16)7-8-19)18(26)24-17(22)23/h1-6H,7-10H2,(H4,22,23,24,26)
Affinity DataKi:  0.950nM ΔG°:  -53.6kJ/molepH: 7.4 T: 2°CAssay Description:A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
Affinity DataKi:  1nMAssay Description:Binding affinity towards human 5-hydroxytryptamine 5A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
Affinity DataKi:  1nMAssay Description:Binding affinity towards human 5-hydroxytryptamine 5A receptor was evaluated using [3H]-5-CT as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM50175465(7-methyl-3-[2-(4-quinolin-4-yl-piperazin-1-yl)-eth...)
Show SMILES CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccnc4ccccc34)c(=O)c21
Show InChI InChI=1S/C25H28N6OS/c1-28-9-7-19-22(16-28)33-24-23(19)25(32)31(17-27-24)15-12-29-10-13-30(14-11-29)21-6-8-26-20-5-3-2-4-18(20)21/h2-6,8,17H,7,9-16H2,1H3
Affinity DataKi: >1nMAssay Description:Inhibitory activity against 5HT5A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148156(US8962612, 28)
Show SMILES NC(N)=NC(=O)N1CCc2c(F)ccc(c2C1)-c1c(F)cccc1F
Show InChI InChI=1S/C17H15F3N4O/c18-12-5-4-10(15-13(19)2-1-3-14(15)20)11-8-24(7-6-9(11)12)17(25)23-16(21)22/h1-5H,6-8H2,(H4,21,22,23,25)
Affinity DataKi:  1.10nM ΔG°:  -53.2kJ/molepH: 7.4 T: 2°CAssay Description:A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148154(US8962612, 23)
Show SMILES NC(N)=NC(=O)N1CCc2c(Cl)ccc(c2C1)-c1c(F)cc(F)cc1F
Show InChI InChI=1S/C17H14ClF3N4O/c18-12-2-1-10(15-13(20)5-8(19)6-14(15)21)11-7-25(4-3-9(11)12)17(26)24-16(22)23/h1-2,5-6H,3-4,7H2,(H4,22,23,24,26)
Affinity DataKi:  1.10nM ΔG°:  -53.2kJ/molepH: 7.4 T: 2°CAssay Description:A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM135790(US8853242, 162)
Show SMILES NC(N)=NC(=O)c1ccc2c(Cl)cnc(-c3c(F)cccc3F)c2c1
Show InChI InChI=1S/C17H11ClF2N4O/c18-11-7-23-15(14-12(19)2-1-3-13(14)20)10-6-8(4-5-9(10)11)16(25)24-17(21)22/h1-7H,(H4,21,22,24,25)
Affinity DataKi:  1.20nM ΔG°:  -50.9kJ/molepH: 7.5 T: 2°CAssay Description:A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM135780(US8853242, 60)
Show SMILES NC(N)=NC(=O)c1ccc2ncc(Cl)c(-c3ccc(F)cc3F)c2c1
Show InChI InChI=1S/C17H11ClF2N4O/c18-12-7-23-14-4-1-8(16(25)24-17(21)22)5-11(14)15(12)10-3-2-9(19)6-13(10)20/h1-7H,(H4,21,22,24,25)
Affinity DataKi:  1.30nM ΔG°:  -50.7kJ/molepH: 7.5 T: 2°CAssay Description:A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 5A(RAT)
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50371998(CHEMBL404372)
Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12
Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1
Affinity DataKi:  1.30nMAssay Description:Binding affinity to rat 5HT5A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM135785(US8853242, 152)
Show SMILES Cc1cnc(-c2c(F)cc(F)cc2F)c2cc(ccc12)C(=O)N=C(N)N
Show InChI InChI=1S/C18H13F3N4O/c1-8-7-24-16(15-13(20)5-10(19)6-14(15)21)12-4-9(2-3-11(8)12)17(26)25-18(22)23/h2-7H,1H3,(H4,22,23,25,26)
Affinity DataKi:  1.30nM ΔG°:  -50.7kJ/molepH: 7.5 T: 2°CAssay Description:A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148167(US8962612, 78)
Show SMILES NC(N)=NC(=O)N1Cc2c(ccc(F)c2C2(CC2)C1)-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H16F4N4O/c20-12-2-1-9(10-5-14(22)15(23)6-13(10)21)11-7-27(18(28)26-17(24)25)8-19(3-4-19)16(11)12/h1-2,5-6H,3-4,7-8H2,(H4,24,25,26,28)
Affinity DataKi:  1.30nM ΔG°:  -52.8kJ/molepH: 7.4 T: 2°CAssay Description:A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM135783(US8853242, 148)
Show SMILES NC(N)=NC(=O)c1ccc2c(F)cnc(-c3c(F)cccc3F)c2c1
Show InChI InChI=1S/C17H11F3N4O/c18-11-2-1-3-12(19)14(11)15-10-6-8(16(25)24-17(21)22)4-5-9(10)13(20)7-23-15/h1-7H,(H4,21,22,24,25)
Affinity DataKi:  1.40nM ΔG°:  -50.5kJ/molepH: 7.5 T: 2°CAssay Description:A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM50371998(CHEMBL404372)
Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12
Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1
Affinity DataKi:  1.60nMAssay Description:Binding affinity to human 5HT5A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM135782(US8853242, 147)
Show SMILES NC(N)=NC(=O)c1ccc2c(F)cnc(-c3c(F)cccc3Cl)c2c1
Show InChI InChI=1S/C17H11ClF2N4O/c18-11-2-1-3-12(19)14(11)15-10-6-8(16(25)24-17(21)22)4-5-9(10)13(20)7-23-15/h1-7H,(H4,21,22,24,25)
Affinity DataKi:  1.60nM ΔG°:  -50.2kJ/molepH: 7.5 T: 2°CAssay Description:A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148164(US8962612, 69)
Show SMILES CC1CN(Cc2c(ccc(F)c12)-c1c(F)cccc1F)C(=O)N=C(N)N
Show InChI InChI=1S/C18H17F3N4O/c1-9-7-25(18(26)24-17(22)23)8-11-10(5-6-14(21)15(9)11)16-12(19)3-2-4-13(16)20/h2-6,9H,7-8H2,1H3,(H4,22,23,24,26)
Affinity DataKi:  1.60nM ΔG°:  -52.2kJ/molepH: 7.4 T: 2°CAssay Description:A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM50371981(CHEMBL256694)
Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m0/s1
Affinity DataKi:  1.80nMAssay Description:Binding affinity to human 5HT5A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM135795(US8853242, 192)
Show SMILES Cc1cnc(-c2ccccc2F)c2cc(ccc12)C(=O)N=C(N)N
Show InChI InChI=1S/C18H15FN4O/c1-10-9-22-16(13-4-2-3-5-15(13)19)14-8-11(6-7-12(10)14)17(24)23-18(20)21/h2-9H,1H3,(H4,20,21,23,24)
Affinity DataKi:  1.80nM ΔG°:  -49.9kJ/molepH: 7.5 T: 2°CAssay Description:A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148162(US8962612, 62)
Show SMILES NC(N)=NC(=O)N1CCc2c(F)ccc(c2C1)-c1ncc(Cl)cc1Cl
Show InChI InChI=1S/C16H14Cl2FN5O/c17-8-5-12(18)14(22-6-8)10-1-2-13(19)9-3-4-24(7-11(9)10)16(25)23-15(20)21/h1-2,5-6H,3-4,7H2,(H4,20,21,23,25)
Affinity DataKi:  1.90nM ΔG°:  -51.8kJ/molepH: 7.4 T: 2°CAssay Description:A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM135792(US8853242, 170)
Show SMILES Cc1cnc(-c2c(F)cccc2F)c2cc(ccc12)C(=O)N=C(N)N
Show InChI InChI=1S/C18H14F2N4O/c1-9-8-23-16(15-13(19)3-2-4-14(15)20)12-7-10(5-6-11(9)12)17(25)24-18(21)22/h2-8H,1H3,(H4,21,22,24,25)
Affinity DataKi:  1.90nM ΔG°:  -49.8kJ/molepH: 7.5 T: 2°CAssay Description:A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(MOUSE)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50130269((6aR,9R)-5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CCN(CC)C(=O)[C@H]1CN(C)[C@@H]2Cc3c(Br)[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H24BrN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-18(13)15(19(21)22-16)10-17(14)23(3)11-12/h6-9,12,17,22H,4-5,10-11H2,1-3H3/t12-,17-/m1/s1
Affinity DataKi:  1.99nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(MOUSE)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50130269((6aR,9R)-5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CCN(CC)C(=O)[C@H]1CN(C)[C@@H]2Cc3c(Br)[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H24BrN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-18(13)15(19(21)22-16)10-17(14)23(3)11-12/h6-9,12,17,22H,4-5,10-11H2,1-3H3/t12-,17-/m1/s1
Affinity DataKi:  1.99nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM50371464(CHEMBL273170)
Show SMILES CC1NC(N)=Nc2ccc(Cl)c(Cl)c12
Show InChI InChI=1S/C9H9Cl2N3/c1-4-7-6(14-9(12)13-4)3-2-5(10)8(7)11/h2-4H,1H3,(H3,12,13,14)
Affinity DataKi:  2nMAssay Description:Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in HEK293-EBNA cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(MOUSE)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50130269((6aR,9R)-5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CCN(CC)C(=O)[C@H]1CN(C)[C@@H]2Cc3c(Br)[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H24BrN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-18(13)15(19(21)22-16)10-17(14)23(3)11-12/h6-9,12,17,22H,4-5,10-11H2,1-3H3/t12-,17-/m1/s1
Affinity DataKi:  2nMAssay Description:Binding affinity towards mouse 5-hydroxytryptamine 5A receptor was evaluated using [125I]-2-iodo LSD as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM135796(US8853242, 211)
Show SMILES NC(N)=NC(=O)c1ccc2c(Cl)cnc(-c3ccc(F)cc3F)c2c1
Show InChI InChI=1S/C17H11ClF2N4O/c18-13-7-23-15(11-4-2-9(19)6-14(11)20)12-5-8(1-3-10(12)13)16(25)24-17(21)22/h1-7H,(H4,21,22,24,25)
Affinity DataKi:  2.30nM ΔG°:  -49.3kJ/molepH: 7.5 T: 2°CAssay Description:A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148161(US8962612, 61)
Show SMILES NC(N)=NC(=O)N1CCc2c(Cl)ccc(c2C1)-c1c(F)cncc1F
Show InChI InChI=1S/C16H14ClF2N5O/c17-11-2-1-9(14-12(18)5-22-6-13(14)19)10-7-24(4-3-8(10)11)16(25)23-15(20)21/h1-2,5-6H,3-4,7H2,(H4,20,21,23,25)
Affinity DataKi:  2.5nM ΔG°:  -51.1kJ/molepH: 7.4 T: 2°CAssay Description:A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(RAT)
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50051944(3-((1R,2S)-2-Dipropylamino-cyclopropyl)-phenol | C...)
Show SMILES CCCN(CCC)[C@H]1C[C@@H]1c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-3-8-16(9-4-2)15-11-14(15)12-6-5-7-13(17)10-12/h5-7,10,14-15,17H,3-4,8-9,11H2,1-2H3/t14-,15+/m1/s1
Affinity DataKi:  2.60nMAssay Description:Inhibition of specific [3H]-OH-DPAT binding at 5-hydroxytryptamine 1A receptor in rat hippocampal membranesMore data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148166(US8962612, 76)
Show SMILES NC(N)=NC(=O)N1Cc2c(ccc(F)c2C2(CC2)C1)C1CC1
Show InChI InChI=1S/C16H19FN4O/c17-12-4-3-10(9-1-2-9)11-7-21(15(22)20-14(18)19)8-16(5-6-16)13(11)12/h3-4,9H,1-2,5-8H2,(H4,18,19,20,22)
Affinity DataKi:  2.70nM ΔG°:  -50.9kJ/molepH: 7.4 T: 2°CAssay Description:A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148157(US8962612, 44)
Show SMILES NC(N)=NC(=O)N1CCc2c(Cl)ccc(c2C1)-c1ccc(F)cc1F
Show InChI InChI=1S/C17H15ClF2N4O/c18-14-4-3-10(12-2-1-9(19)7-15(12)20)13-8-24(6-5-11(13)14)17(25)23-16(21)22/h1-4,7H,5-6,8H2,(H4,21,22,23,25)
Affinity DataKi:  2.70nM ΔG°:  -50.9kJ/molepH: 7.4 T: 2°CAssay Description:A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(RAT)
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50371996(CHEMBL541993)
Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12
Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)/t6-/m0/s1
Affinity DataKi:  2.90nMAssay Description:Binding affinity to rat 5HT5A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM50130266(8-Piperazin-1-yl-naphthalen-2-ol | CHEMBL24462)
Show SMILES Oc1ccc2cccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C14H16N2O/c17-12-5-4-11-2-1-3-14(13(11)10-12)16-8-6-15-7-9-16/h1-5,10,15,17H,6-9H2
Affinity DataKi:  3nMAssay Description:Binding affinity for rodent 5-hydroxytryptamine 5A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM135788(US8853242, 160)
Show SMILES NC(N)=NC(=O)c1ccc2c(F)cnc(-c3ccccc3F)c2c1
Show InChI InChI=1S/C17H12F2N4O/c18-13-4-2-1-3-11(13)15-12-7-9(16(24)23-17(20)21)5-6-10(12)14(19)8-22-15/h1-8H,(H4,20,21,23,24)
Affinity DataKi:  3.30nM ΔG°:  -48.4kJ/molepH: 7.5 T: 2°CAssay Description:A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM135789(US8853242, 161)
Show SMILES NC(N)=NC(=O)c1ccc2c(F)cnc(-c3ccccc3Cl)c2c1
Show InChI InChI=1S/C17H12ClFN4O/c18-13-4-2-1-3-11(13)15-12-7-9(16(24)23-17(20)21)5-6-10(12)14(19)8-22-15/h1-8H,(H4,20,21,23,24)
Affinity DataKi:  3.40nM ΔG°:  -48.3kJ/molepH: 7.5 T: 2°CAssay Description:A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148153(US8962612, 8)
Show SMILES NC(N)=NC(=O)N1CCc2cccc(c2C1)-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H15F3N4O/c18-13-7-15(20)14(19)6-11(13)10-3-1-2-9-4-5-24(8-12(9)10)17(25)23-16(21)22/h1-3,6-7H,4-5,8H2,(H4,21,22,23,25)
Affinity DataKi:  3.60nM ΔG°:  -50.1kJ/molepH: 7.4 T: 2°CAssay Description:A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148168(US8962612, 79)
Show SMILES NC(N)=NC(=O)N1CCc2c(F)ccc(c2C1)-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H14F4N4O/c18-12-2-1-8(10-5-14(20)15(21)6-13(10)19)11-7-25(4-3-9(11)12)17(26)24-16(22)23/h1-2,5-6H,3-4,7H2,(H4,22,23,24,26)
Affinity DataKi:  3.70nM ΔG°:  -50.1kJ/molepH: 7.4 T: 2°CAssay Description:A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM135781(US8853242, 114)
Show SMILES Cc1nc2ccc(cc2c(c1C)-c1c(F)cc(F)cc1F)C(=O)N=C(N)N
Show InChI InChI=1S/C19H15F3N4O/c1-8-9(2)25-15-4-3-10(18(27)26-19(23)24)5-12(15)16(8)17-13(21)6-11(20)7-14(17)22/h3-7H,1-2H3,(H4,23,24,26,27)
Affinity DataKi:  3.70nM ΔG°:  -48.1kJ/molepH: 7.5 T: 2°CAssay Description:A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148160(US8962612, 60)
Show SMILES Cc1ccc(c2CN(CCc12)C(=O)N=C(N)N)-c1ncc(F)cc1F
Show InChI InChI=1S/C17H17F2N5O/c1-9-2-3-12(15-14(19)6-10(18)7-22-15)13-8-24(5-4-11(9)13)17(25)23-16(20)21/h2-3,6-7H,4-5,8H2,1H3,(H4,20,21,23,25)
Affinity DataKi:  3.90nM ΔG°:  -49.9kJ/molepH: 7.4 T: 2°CAssay Description:A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(MOUSE)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50027065((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
Affinity DataKi:  3.98nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(MOUSE)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50027065((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
Affinity DataKi:  3.98nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 5A(MOUSE)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50027065((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
Affinity DataKi:  3.98nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM135784(US8853242, 151)
Show SMILES NC(N)=NC(=O)c1ccc2c(F)cnc(-c3ccc(F)cc3Cl)c2c1
Show InChI InChI=1S/C17H11ClF2N4O/c18-13-6-9(19)2-4-11(13)15-12-5-8(16(25)24-17(21)22)1-3-10(12)14(20)7-23-15/h1-7H,(H4,21,22,24,25)
Affinity DataKi:  4.10nM ΔG°:  -47.9kJ/molepH: 7.5 T: 2°CAssay Description:A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148170(US8962612, 81)
Show SMILES NC(N)=NC(=O)N1CCc2cccc(c2C1)-c1ncc(F)cc1F
Show InChI InChI=1S/C16H15F2N5O/c17-10-6-13(18)14(21-7-10)11-3-1-2-9-4-5-23(8-12(9)11)16(24)22-15(19)20/h1-3,6-7H,4-5,8H2,(H4,19,20,22,24)
Affinity DataKi:  4.20nM ΔG°:  -49.7kJ/molepH: 7.4 T: 2°CAssay Description:A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148152(US8962612, 4)
Show SMILES NC(N)=NC(=O)N1CCc2c(F)ccc(c2C1)-c1ncc(Cl)cc1F
Show InChI InChI=1S/C16H14ClF2N5O/c17-8-5-13(19)14(22-6-8)10-1-2-12(18)9-3-4-24(7-11(9)10)16(25)23-15(20)21/h1-2,5-6H,3-4,7H2,(H4,20,21,23,25)
Affinity DataKi:  4.30nM ΔG°:  -49.7kJ/molepH: 7.4 T: 2°CAssay Description:A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM135794(US8853242, 187)
Show SMILES NC(N)=NC(=O)c1ccc2c(cnc(-c3c(F)cccc3F)c2c1)C(F)F
Show InChI InChI=1S/C18H12F4N4O/c19-12-2-1-3-13(20)14(12)15-10-6-8(17(27)26-18(23)24)4-5-9(10)11(7-25-15)16(21)22/h1-7,16H,(H4,23,24,26,27)
Affinity DataKi:  4.60nM ΔG°:  -47.6kJ/molepH: 7.5 T: 2°CAssay Description:A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM50371460(CHEMBL401745)
Show SMILES COc1cc(Cl)c(C)c2C(C)NC(N)=Nc12
Show InChI InChI=1S/C11H14ClN3O/c1-5-7(12)4-8(16-3)10-9(5)6(2)14-11(13)15-10/h4,6H,1-3H3,(H3,13,14,15)
Affinity DataKi:  4.70nMAssay Description:Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in HEK293-EBNA cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM135791(US8853242, 164)
Show SMILES NC(N)=NC(=O)c1ccc2c(F)cnc(-c3c(F)cncc3Cl)c2c1
Show InChI InChI=1S/C16H10ClF2N5O/c17-10-4-22-5-12(19)13(10)14-9-3-7(15(25)24-16(20)21)1-2-8(9)11(18)6-23-14/h1-6H,(H4,20,21,24,25)
Affinity DataKi:  4.70nM ΔG°:  -47.5kJ/molepH: 7.5 T: 2°CAssay Description:A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...More data for this Ligand-Target Pair
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