Show SMILESNC(N)=NC(=O)c1ccc-2c(c1)C(O)c1c-2cccc1Cl
Show InChIInChI=1S/C15H12ClN3O2/c16-11-3-1-2-9-8-5-4-7(14(21)19-15(17)18)6-10(8)13(20)12(9)11/h1-6,13,20H,(H4,17,18,19,21)
Affinity DataKi: 0.110nMAssay Description:Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293-EBNA cells by liquid scintillation countingMore data for this Ligand-Target Pair
Show SMILESClc1cccc(N2CCN(CCCCOc3ccc4OCC(=O)Nc4c3)CC2)c1Cl
Show InChIInChI=1S/C22H25Cl2N3O3/c23-17-4-3-5-19(22(17)24)27-11-9-26(10-12-27)8-1-2-13-29-16-6-7-20-18(14-16)25-21(28)15-30-20/h3-7,14H,1-2,8-13,15H2,(H,25,28)
Affinity DataKi: 0.190nMAssay Description:Serotonin, 5HT1A: Materials and Methods:Receptor Source: Human recombinant 5-HT1A expressed mammalian cellsRadioligand: [3H]-8-OH-DPAT (221 Ci/mmol)C...More data for this Ligand-Target Pair
Show InChIInChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3
Affinity DataKi: 0.190nMAssay Description:Binding activity against cloned human 5-hydroxytryptamine 2B receptor using [3H]-5-HT as the radioligand.More data for this Ligand-Target Pair
Show SMILESClc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChIInChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Show SMILESClc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChIInChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi: 0.360nMAssay Description:Displacement of [3H]LSD from human 5-HT2B receptor expressed in cell membranes after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
Show SMILESCC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34
Show InChIInChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
Show SMILESO=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChIInChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)
Show SMILESCc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChIInChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
Show SMILESCCC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34
Show InChIInChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)
Show SMILESCC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChIInChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1
Show SMILESCl.NC(N)=NC(=O)c1ccc2-c3ccccc3C3(CC3)c2c1
Show InChIInChI=1S/C17H15N3O/c18-16(19)20-15(21)10-5-6-12-11-3-1-2-4-13(11)17(7-8-17)14(12)9-10/h1-6,9H,7-8H2,(H4,18,19,20,21)
Affinity DataKi: 0.510nMAssay Description:Displacement of [3H]mesulergine from human 5-HT2B receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Show SMILESCOC(OC)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChIInChI=1S/C19H26N2O2/c1-20-10-12-9-17-15(14-6-5-7-16(20)18(12)14)8-13(11-21(17)2)19(22-3)23-4/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15-,17-/m1/s1
Affinity DataKi: 0.540nMAssay Description:Displacement of [125I](+/-)DOI from human 5-HT2B receptor trasfected in CHO cell membrane after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
Show SMILESCN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChIInChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
Affinity DataKi: 0.570nMAssay Description:Binding affinity determined in radioreceptor binding assay by using [3H]-SCH-23,390 radioligand against dopamine receptor D1More data for this Ligand-Target Pair
Show SMILESClc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChIInChI=1S/C24H29Cl2N3O2/c25-20-5-3-6-22(24(20)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h3,5-7,9,17H,1-2,4,8,10-16H2,(H,27,30)
Show SMILESClc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChIInChI=1S/C24H29Cl2N3O2/c25-20-5-3-6-22(24(20)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h3,5-7,9,17H,1-2,4,8,10-16H2,(H,27,30)
Affinity DataKi: 0.600nMpH: 7.4Assay Description:Membranes prepared as above were resuspended to 1 ug protein/ul (measured by Bradford assay using BSA as standard), and 50 ul were added to each well...More data for this Ligand-Target Pair
Show SMILESCC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34
Show InChIInChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
Show InChIInChI=1S/C16H15N3O2/c1-8-3-2-4-11-10-6-5-9(15(21)19-16(17)18)7-12(10)14(20)13(8)11/h2-7,14,20H,1H3,(H4,17,18,19,21)
Affinity DataKi: 0.670nMAssay Description:Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293-EBNA cells by liquid scintillation countingMore data for this Ligand-Target Pair
Show SMILESCCc1cccc2c1-c1ccc(cc1C2(C)O)C(=O)N=C(N)N
Show InChIInChI=1S/C18H19N3O2/c1-3-10-5-4-6-13-15(10)12-8-7-11(16(22)21-17(19)20)9-14(12)18(13,2)23/h4-9,23H,3H2,1-2H3,(H4,19,20,21,22)
Affinity DataKi: 0.710nMAssay Description:Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293-EBNA cells by liquid scintillation countingMore data for this Ligand-Target Pair
Show SMILESCN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
Show InChIInChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
Show SMILESCN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
Show InChIInChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
Show SMILESCC(O)C(C)OC(=O)C1CC2C(Cc3cn(C(C)C)c4cccc2c34)N(C)C1
Show InChIInChI=1S/C23H32N2O3/c1-13(2)25-12-16-10-21-19(18-7-6-8-20(25)22(16)18)9-17(11-24(21)5)23(27)28-15(4)14(3)26/h6-8,12-15,17,19,21,26H,9-11H2,1-5H3
Show SMILESCCC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34
Show InChIInChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)
Show SMILESCC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChIInChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1
Affinity DataKi: 0.800nMAssay Description:Displacement of [3H]LSD from human cloned 5HT2B receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
Show InChIInChI=1S/C16H15N3O2/c1-8-3-2-4-11-13(8)10-6-5-9(7-12(10)14(11)20)15(21)19-16(17)18/h2-7,14,20H,1H3,(H4,17,18,19,21)
Affinity DataKi: 0.810nMAssay Description:Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293-EBNA cells by liquid scintillation countingMore data for this Ligand-Target Pair
Show InChIInChI=1S/C15H12FN3O/c16-13-11-4-2-1-3-9(11)10-6-5-8(7-12(10)13)14(20)19-15(17)18/h1-7,13H,(H4,17,18,19,20)
Affinity DataKi: 0.900nMAssay Description:Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293-EBNA cells by liquid scintillation countingMore data for this Ligand-Target Pair
Show SMILESNC(N)=NC(=O)c1ccc-2c(c1)C(O)c1cccc(F)c-21
Show InChIInChI=1S/C15H12FN3O2/c16-11-3-1-2-9-12(11)8-5-4-7(6-10(8)13(9)20)14(21)19-15(17)18/h1-6,13,20H,(H4,17,18,19,21)
Affinity DataKi: 0.910nMAssay Description:Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293-EBNA cells by liquid scintillation countingMore data for this Ligand-Target Pair
Show SMILESCN(C)CCCNC(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChIInChI=1S/C22H32N4O/c1-24(2)10-6-9-23-22(27)16-11-18-17-7-5-8-19-21(17)15(13-25(19)3)12-20(18)26(4)14-16/h5,7-8,13,16,18,20H,6,9-12,14H2,1-4H3,(H,23,27)/t16-,18-,20-/m1/s1
Affinity DataKi: 0.970nMAssay Description:Displacement of [125I](+/-)DOI from human 5-HT2B receptor trasfected in CHO cell membrane after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
Show InChIInChI=1S/C16H20ClN3/c1-11(2)20-16(12-3-5-13(17)6-4-12)14-7-9-18-10-8-15(14)19-20/h3-6,11,18H,7-10H2,1-2H3
Affinity DataKi: 1nMAssay Description:Displacement of [3H]-ketanserin from human 5-HT2B receptor by competitive radioligand binding assayMore data for this Ligand-Target Pair
Show InChIInChI=1S/C17H23N3O/c1-12(2)20-17(13-4-6-14(21-3)7-5-13)15-8-10-18-11-9-16(15)19-20/h4-7,12,18H,8-11H2,1-3H3
Affinity DataKi: 1nMAssay Description:Displacement of [3H]-ketanserin from human 5-HT2B receptor by competitive radioligand binding assayMore data for this Ligand-Target Pair
Show SMILESCc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChIInChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
Show InChIInChI=1S/C20H25N3/c1-14-6-8-15(9-7-14)19-17-10-12-21-13-11-18(17)22-20(23-19)16-4-2-3-5-16/h6-9,16,21H,2-5,10-13H2,1H3
Affinity DataKi: 1nMAssay Description:Displacement of [3H]mesulergine from human recombinant 5HT2B receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Show SMILESCCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChIInChI=1S/C25H37N5O2/c1-6-26-25(32)30(12-8-11-27(2)3)24(31)18-13-20-19-9-7-10-21-23(19)17(15-28(21)4)14-22(20)29(5)16-18/h7,9-10,15,18,20,22H,6,8,11-14,16H2,1-5H3,(H,26,32)/t18-,20-,22-/m1/s1
Affinity DataKi: 1nMAssay Description:Displacement of [125I](+/-)DOI from human 5-HT2B receptor trasfected in CHO cell membrane after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
Show SMILESCN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChIInChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
Affinity DataKi: 1nMAssay Description:The compound was tested for binding affinity against dopamine receptor D2 using raclopride as radioligandMore data for this Ligand-Target Pair
Show SMILESC[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Show InChIInChI=1S/C24H27FN4O2/c1-16-24(30)27-21-5-2-6-22(23(21)31-16)29-12-10-28(11-13-29)9-3-4-17-15-26-20-8-7-18(25)14-19(17)20/h2,5-8,14-16,26H,3-4,9-13H2,1H3,(H,27,30)/t16-/m1/s1
Show SMILESCCN(CC)C(=O)N[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChIInChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18-/m1/s1
3D Structure (crystal)
