Compile Data Set for Download or QSAR
Found 666 with Last Name = 'miyazaki' and Initial = 't'
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
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
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
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
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
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
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(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
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
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
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(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
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(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(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
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
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
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
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(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
TargetFree fatty acid receptor 1(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50386646(CHEMBL2048622)
Show SMILES CCS(=O)(=O)CCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C28H31FO6S/c1-4-36(32,33)13-12-34-25-14-19(2)28(20(3)15-25)23-7-5-6-21(16-23)18-35-24-10-8-22(26(29)17-24)9-11-27(30)31/h5-8,10,14-17H,4,9,11-13,18H2,1-3H3,(H,30,31)
Affinity DataKi:  4.20nMAssay Description:Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...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
TargetFree fatty acid receptor 1(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50386648(CHEMBL2048625)
Show SMILES CCS(=O)(=O)CCOc1cc(C)c(c(C)c1)-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C28H32FNO5S/c1-4-36(33,34)13-12-35-25-14-19(2)28(20(3)15-25)23-7-5-6-21(16-23)18-30-24-10-8-22(26(29)17-24)9-11-27(31)32/h5-8,10,14-17,30H,4,9,11-13,18H2,1-3H3,(H,31,32)
Affinity DataKi:  4.5nMAssay Description:Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50386650(CHEMBL2048627)
Show SMILES Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C30H34FNO6S/c1-20-14-26(38-19-30(35)10-12-39(36,37)13-11-30)15-21(2)29(20)24-5-3-4-22(16-24)18-32-25-8-6-23(27(31)17-25)7-9-28(33)34/h3-6,8,14-17,32,35H,7,9-13,18-19H2,1-2H3,(H,33,34)
Affinity DataKi:  4.5nMAssay Description:Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50386644(CHEMBL2048618)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C28H31FO5/c1-4-32-12-13-33-25-14-19(2)28(20(3)15-25)23-7-5-6-21(16-23)18-34-24-10-8-22(26(29)17-24)9-11-27(30)31/h5-8,10,14-17H,4,9,11-13,18H2,1-3H3,(H,30,31)
Affinity DataKi:  4.5nMAssay Description:Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...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
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
TargetFree fatty acid receptor 1(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50386649(CHEMBL2048626)
Show SMILES Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C29H32FNO5S/c1-19-14-26(36-25-10-12-37(34,35)13-11-25)15-20(2)29(19)23-5-3-4-21(16-23)18-31-24-8-6-22(27(30)17-24)7-9-28(32)33/h3-6,8,14-17,25,31H,7,9-13,18H2,1-2H3,(H,32,33)
Affinity DataKi:  5.10nMAssay Description:Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM135786(US8853242, 157)
Show SMILES NC(N)=NC(=O)c1ccc2c(F)cnc(-c3c(F)cncc3F)c2c1
Show InChI InChI=1S/C16H10F3N5O/c17-10-6-23-14(13-11(18)4-22-5-12(13)19)9-3-7(1-2-8(9)10)15(25)24-16(20)21/h1-6H,(H4,20,21,24,25)
Affinity DataKi:  5.30nM ΔG°:  -47.2kJ/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
TargetFree fatty acid receptor 1(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50386641(CHEMBL2048615)
Show SMILES Cc1cc(OCC2CC2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C28H30O4/c1-19-14-26(32-17-22-6-7-22)15-20(2)28(19)24-5-3-4-23(16-24)18-31-25-11-8-21(9-12-25)10-13-27(29)30/h3-5,8-9,11-12,14-16,22H,6-7,10,13,17-18H2,1-2H3,(H,29,30)
Affinity DataKi:  5.60nMAssay Description:Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM135793(US8853242, 171)
Show SMILES NC(N)=NC(=O)c1ccc2c(F)cnc(-c3ncc(F)cc3Cl)c2c1
Show InChI InChI=1S/C16H10ClF2N5O/c17-11-4-8(18)5-22-14(11)13-10-3-7(15(25)24-16(20)21)1-2-9(10)12(19)6-23-13/h1-6H,(H4,20,21,24,25)
Affinity DataKi:  6.20nM ΔG°:  -46.8kJ/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
TargetFree fatty acid receptor 1(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50386651(CHEMBL2048628)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C28H32FNO4/c1-4-33-12-13-34-25-14-19(2)28(20(3)15-25)23-7-5-6-21(16-23)18-30-24-10-8-22(26(29)17-24)9-11-27(31)32/h5-8,10,14-17,30H,4,9,11-13,18H2,1-3H3,(H,31,32)
Affinity DataKi:  6.20nMAssay Description:Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50386640(CHEMBL2048614)
Show SMILES COc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C25H26O4/c1-17-13-23(28-3)14-18(2)25(17)21-6-4-5-20(15-21)16-29-22-10-7-19(8-11-22)9-12-24(26)27/h4-8,10-11,13-15H,9,12,16H2,1-3H3,(H,26,27)
Affinity DataKi:  6.20nMAssay Description:Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50386637(CHEMBL2048623)
Show SMILES Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C29H31FO6S/c1-19-14-26(36-24-10-12-37(33,34)13-11-24)15-20(2)29(19)23-5-3-4-21(16-23)18-35-25-8-6-22(27(30)17-25)7-9-28(31)32/h3-6,8,14-17,24H,7,9-13,18H2,1-2H3,(H,31,32)
Affinity DataKi:  6.40nMAssay Description:Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148159(US8962612, 49)
Show SMILES NC(N)=NC(=O)N1CC(F)c2c(Cl)ccc(c2C1)-c1ccc(F)cc1F
Show InChI InChI=1S/C17H14ClF3N4O/c18-12-4-3-9(10-2-1-8(19)5-13(10)20)11-6-25(7-14(21)15(11)12)17(26)24-16(22)23/h1-5,14H,6-7H2,(H4,22,23,24,26)
Affinity DataKi:  6.60nM ΔG°:  -48.6kJ/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
TargetFree fatty acid receptor 1(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50386639(CHEMBL2048619)
Show SMILES Cc1cc(OC2CCOCC2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C29H31FO5/c1-19-14-26(35-24-10-12-33-13-11-24)15-20(2)29(19)23-5-3-4-21(16-23)18-34-25-8-6-22(27(30)17-25)7-9-28(31)32/h3-6,8,14-17,24H,7,9-13,18H2,1-2H3,(H,31,32)
Affinity DataKi:  6.70nMAssay Description:Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50386638(CHEMBL2048620)
Show SMILES Cc1cccc(Oc2cc(C)c(c(C)c2)-c2cccc(COc3ccc(CCC(O)=O)c(F)c3)c2)n1
Show InChI InChI=1S/C30H28FNO4/c1-19-14-26(36-28-9-4-6-21(3)32-28)15-20(2)30(19)24-8-5-7-22(16-24)18-35-25-12-10-23(27(31)17-25)11-13-29(33)34/h4-10,12,14-17H,11,13,18H2,1-3H3,(H,33,34)
Affinity DataKi:  6.70nMAssay Description:Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50386642(CHEMBL2048616)
Show SMILES Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C31H30O4/c1-22-17-29(35-20-25-7-4-3-5-8-25)18-23(2)31(22)27-10-6-9-26(19-27)21-34-28-14-11-24(12-15-28)13-16-30(32)33/h3-12,14-15,17-19H,13,16,20-21H2,1-2H3,(H,32,33)
Affinity DataKi:  6.70nMAssay Description:Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM148158(US8962612, 46)
Show SMILES NC(N)=NC(=O)N1CCc2c(F)ccc(c2C1)-c1ncc(F)cc1F
Show InChI InChI=1S/C16H14F3N5O/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:  6.90nM ΔG°:  -48.5kJ/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
LigandPNGBDBM135787(US8853242, 159)
Show SMILES COc1cccc(F)c1-c1ncc(F)c2ccc(cc12)C(=O)N=C(N)N
Show InChI InChI=1S/C18H14F2N4O2/c1-26-14-4-2-3-12(19)15(14)16-11-7-9(17(25)24-18(21)22)5-6-10(11)13(20)8-23-16/h2-8H,1H3,(H4,21,22,24,25)
Affinity DataKi:  7.10nM ΔG°:  -46.5kJ/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
Ligand InfoPC cidPC sid
TargetFree fatty acid receptor 1(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50386647(CHEMBL2048624)
Show SMILES Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C30H33FO7S/c1-20-14-26(38-19-30(34)10-12-39(35,36)13-11-30)15-21(2)29(20)24-5-3-4-22(16-24)18-37-25-8-6-23(27(31)17-25)7-9-28(32)33/h3-6,8,14-17,34H,7,9-13,18-19H2,1-2H3,(H,32,33)
Affinity DataKi:  8.20nMAssay Description:Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...More data for this Ligand-Target Pair
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