Compile Data Set for Download or QSAR
Found 191 with Last Name = 'hamaguchi' and Initial = 'w'
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
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
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
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
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
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
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(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(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
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
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
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
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
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
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Astellas Pharma Inc

US Patent
LigandPNGBDBM135779(US8853242, 6)
Show SMILES Cc1cc(-c2c(F)cc(F)cc2F)c2cc(ccc2n1)C(=O)N=C(N)N
Show InChI InChI=1S/C18H13F3N4O/c1-8-4-12(16-13(20)6-10(19)7-14(16)21)11-5-9(2-3-15(11)24-8)17(26)25-18(22)23/h2-7H,1H3,(H4,22,23,25,26)
Affinity DataKi:  13nM ΔG°:  -45.0kJ/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
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Homo sapiens (Human))
Astellas Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50520336(CHEMBL4470042)
Show SMILES Cc1cc(C)n2nc(CCc3cc(O)n4nc5ccccc5c4n3)nc2n1
Show InChI InChI=1S/C19H17N7O/c1-11-9-12(2)25-19(20-11)22-16(24-25)8-7-13-10-17(27)26-18(21-13)14-5-3-4-6-15(14)23-26/h3-6,9-10,27H,7-8H2,1-2H3
Affinity DataIC50: 2nMAssay Description:Inhibition of human PDE10A using cAMP as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by HTRF detecti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Homo sapiens (Human))
Astellas Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50521882(CHEMBL4469155)
Show SMILES Cc1cc(C)n2nc(CCc3cc(O)n4nc5ncccc5c4n3)nc2n1
Show InChI InChI=1S/C18H16N8O/c1-10-8-11(2)25-18(20-10)22-14(23-25)6-5-12-9-15(27)26-17(21-12)13-4-3-7-19-16(13)24-26/h3-4,7-9,27H,5-6H2,1-2H3
Affinity DataIC50: 2.90nMAssay Description:Inhibition of human PDE10A using cAMP as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by HTRF detecti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Homo sapiens (Human))
Astellas Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50521887(CHEMBL4459939)
Show SMILES C[C@H]1Cn2c(nc3ccccc23)N1C(=O)Cc1nc2c(C)ncc(C)n2n1
Show InChI InChI=1S/C19H19N7O/c1-11-9-20-13(3)18-22-16(23-26(11)18)8-17(27)25-12(2)10-24-15-7-5-4-6-14(15)21-19(24)25/h4-7,9,12H,8,10H2,1-3H3/t12-/m0/s1
Affinity DataIC50: 8.40nMAssay Description:Inhibition of human PDE10A using cAMP as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by HTRF detecti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium- and chloride-dependent glycine transporter 1(attus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50149871((R)-2-((3-(biphenyl-4-yloxy)-3-(4-fluorophenyl)pro...)
Show SMILES CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O
Show InChI InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
Affinity DataIC50: 8.90nMAssay Description:Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50243945(2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)
Affinity DataIC50: 18nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50244380(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
Affinity DataIC50: 19nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50265669((1'-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinaz...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C27H34ClN5O3/c1-35-24-14-22-23(15-25(24)36-2)30-27(31-26(22)29-20-7-5-19(28)6-8-20)32-12-9-21(10-13-32)33-11-3-4-18(16-33)17-34/h5-8,14-15,18,21,34H,3-4,9-13,16-17H2,1-2H3,(H,29,30,31)
Affinity DataIC50: 19nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Mus musculus)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50265742(CHEMBL521737 | {1'-[4-(Cycloheptylamino)-6,7-dimet...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C28H43N5O3/c1-35-25-16-23-24(17-26(25)36-2)30-28(31-27(23)29-21-9-5-3-4-6-10-21)32-14-11-22(12-15-32)33-13-7-8-20(18-33)19-34/h16-17,20-22,34H,3-15,18-19H2,1-2H3,(H,29,30,31)
Affinity DataIC50: 19nMAssay Description:Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetSodium- and chloride-dependent glycine transporter 1(attus norvegicus (Rat))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50102692(4-Benzyloxy-N-(1-dimethylamino-cyclopentylmethyl)-...)
Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)NCC1(CCCC1)N(C)C
Show InChI InChI=1S/C24H32N2O4/c1-26(2)24(12-8-9-13-24)17-25-23(27)19-14-20(28-3)22(21(15-19)29-4)30-16-18-10-6-5-7-11-18/h5-7,10-11,14-15H,8-9,12-13,16-17H2,1-4H3,(H,25,27)
Affinity DataIC50: 22nMAssay Description:Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50265669((1'-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinaz...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C27H34ClN5O3/c1-35-24-14-22-23(15-25(24)36-2)30-27(31-26(22)29-20-7-5-19(28)6-8-20)32-12-9-21(10-13-32)33-11-3-4-18(16-33)17-34/h5-8,14-15,18,21,34H,3-4,9-13,16-17H2,1-2H3,(H,29,30,31)
Affinity DataIC50: 23nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50245036(CHEMBL486840 | N-(4-Chlorophenyl)-6,7-dimethoxy-2-...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H30ClN5O2/c1-32-22-15-20-21(16-23(22)33-2)28-25(29-24(20)27-18-7-5-17(26)6-8-18)31-13-9-19(10-14-31)30-11-3-4-12-30/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,27,28,29)
Affinity DataIC50: 24nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Homo sapiens (Human))
Astellas Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50521879(CHEMBL4559232)
Show SMILES C[C@H]1Cn2c(nc3ccccc23)N1C(=O)Cc1nc2nc(C)cc(C)n2n1
Show InChI InChI=1S/C19H19N7O/c1-11-8-12(2)26-18(20-11)22-16(23-26)9-17(27)25-13(3)10-24-15-7-5-4-6-14(15)21-19(24)25/h4-8,13H,9-10H2,1-3H3/t13-/m0/s1
Affinity DataIC50: 28nMAssay Description:Inhibition of human PDE10A using cAMP as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by HTRF detecti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
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