Compile Data Set for Download or QSAR
Found 6645 Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C'
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50068612(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)
Show SMILES CC(N)Cc1c2ccoc2c(Br)c2ccoc12
Show InChI InChI=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:  0.0200nMAssay Description:Binding activity against cloned human 5-hydroxytryptamine 2C receptor using [125I]-DOI as the radioligand.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Rattus norvegicus (Rat))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50098525(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)
Show SMILES C[C@@H]([NH3+])Cc1c2ccoc2c(Br)c2ccoc12
Show InChI InChI=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/p+1/t7-/m1/s1
Affinity DataKi:  0.110nMAssay Description:Binding affinity at cloned rat 5-hydroxytryptamine 2C receptor using [3H]-DOI as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Rattus norvegicus (Rat))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50145624(CHEMBL3764539)
Show SMILES Clc1cccc(c1)N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C18H21ClN4O/c19-16-2-1-3-17(14-16)23-12-10-22(11-13-23)9-8-21-18(24)15-4-6-20-7-5-15/h1-7,14H,8-13H2,(H,21,24)
Affinity DataKi:  0.156nMAssay Description:Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysi...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM472930((R)-4-propyl-6,6a,7,8,9,10-hexahydro-5H- pyrazino[...)
Show SMILES CCCc1ccnc2N3CCNC[C@H]3CCc12
Show InChI InChI=1S/C14H21N3/c1-2-3-11-6-7-16-14-13(11)5-4-12-10-15-8-9-17(12)14/h6-7,12,15H,2-5,8-10H2,1H3/t12-/m1/s1
Affinity DataKi:  0.158nMAssay Description:Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 2C(Rattus norvegicus (Rat))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50115642((+)-65-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2,...)
Show SMILES COc1cccc2Cc3ccccc3[C@H]3CN(C)CCN3c12
Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m1/s1
Affinity DataKi:  0.160nMAssay Description:The binding affinity of the compound at 5-hydroxytryptamine 2C receptor was determined using [3H]-mesulergineMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Rattus norvegicus (Rat))
Purdue University

Curated by ChEMBL
LigandPNGBDBM85097(CAS_181632-25-7 | CHEMBL14563 | SB 242084)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl
Show InChI InChI=1S/C21H19ClN4O2/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27)
Affinity DataKi:  0.160nMAssay Description:Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometryMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(PIG)
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM84994(CAS_163091 | NSC_163091 | ORG-5222)
Show SMILES CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3
Affinity DataKi:  0.170nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM30704((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
Show InChI InChI=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
Affinity DataKi:  0.180nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50214298(CHEMBL93862)
Show SMILES COc1ccc(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)-c1ccccc1
Show InChI InChI=1S/C25H29N3O4/c1-32-22-11-10-19(18-7-3-2-4-8-18)17-20(22)21(29)9-5-6-14-28-15-12-25(13-16-28)23(30)26-24(31)27-25/h2-4,7-8,10-11,17H,5-6,9,12-16H2,1H3,(H2,26,27,30,31)
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO-K1 cellsMore data for this Ligand-Target Pair
In DepthDetails
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50001786(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]prozosin from human cloned 5HT2C receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50375451(CHEMBL408579)
Show SMILES C[C@H](N)Cn1ncc2ccc3oc(C)cc3c12
Show InChI InChI=1S/C13H15N3O/c1-8(14)7-16-13-10(6-15-16)3-4-12-11(13)5-9(2)17-12/h3-6,8H,7,14H2,1-2H3/t8-/m0/s1
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM84994(CAS_163091 | NSC_163091 | ORG-5222)
Show SMILES CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3
Affinity DataKi:  0.200nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Rattus norvegicus (Rat))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50001775((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=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
Affinity DataKi:  0.200nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50375457(CHEMBL261476)
Show SMILES C[C@H](N)Cn1ncc2ccc3occc3c12
Show InChI InChI=1S/C12H13N3O/c1-8(13)7-15-12-9(6-14-15)2-3-11-10(12)4-5-16-11/h2-6,8H,7,13H2,1H3/t8-/m0/s1
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Rattus norvegicus (Rat))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50115643((+/-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro...)
Show SMILES COc1cccc2Cc3ccccc3C3CN(C)CCN3c12
Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3
Affinity DataKi:  0.210nMAssay Description:The binding affinity of the compound at 5-hydroxytryptamine 2C receptor was determined using [3H]-mesulergineMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50162957((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...)
Show SMILES CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15?,19+/m1/s1
Affinity DataKi:  0.210nMAssay Description:Inhibition of [3H]-mesulergine binding to human 5-hydroxytryptamine 2C receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50001775((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=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
Affinity DataKi:  0.25nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Rattus norvegicus (Rat))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50098526(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)
Show SMILES C[C@H]([NH3+])Cc1c2ccoc2c(Br)c2ccoc12
Show InChI InChI=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/p+1/t7-/m0/s1
Affinity DataKi:  0.25nMAssay Description:Binding affinity at cloned rat 5-hydroxytryptamine 2C receptor using [3H]-DOI as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50001775((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=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
Affinity DataKi:  0.25nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50214295(CHEMBL91221)
Show SMILES COc1cc(Cl)c(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
Show InChI InChI=1S/C19H23Cl2N3O4/c1-28-16-11-14(21)13(20)10-12(16)15(25)4-2-3-7-24-8-5-19(6-9-24)17(26)22-18(27)23-19/h10-11H,2-9H2,1H3,(H2,22,23,26,27)
Affinity DataKi:  0.251nMAssay Description:Displacement of [3H]mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO-K1 cellsMore data for this Ligand-Target Pair
In DepthDetails
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50459718(CHEMBL4213379 | US10836764, Compound 106)
Show SMILES C(c1ccccc1)c1ccnc2N3CCNC[C@H]3CCc12
Show InChI InChI=1S/C18H21N3/c1-2-4-14(5-3-1)12-15-8-9-20-18-17(15)7-6-16-13-19-10-11-21(16)18/h1-5,8-9,16,19H,6-7,10-13H2/t16-/m1/s1
Affinity DataKi:  0.251nMAssay Description:Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 2C(Rattus norvegicus (Rat))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50098532(2-(8-Bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES C[C@@H]([NH3+])Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3/p+1/t7-/m1/s1
Affinity DataKi:  0.260nMAssay Description:Binding affinity at cloned rat 5-hydroxytryptamine 2C receptor using [3H]-DOI as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM84994(CAS_163091 | NSC_163091 | ORG-5222)
Show SMILES CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3
Affinity DataKi:  0.270nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50169264((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12
Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1
Affinity DataKi:  0.300nMAssay Description:Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50169264((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12
Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50052337(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
Affinity DataKi:  0.300nMAssay Description:Binding activity against cloned human 5-hydroxytryptamine 2C receptor using [125I]-DOI as the radioligand.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50064703((R)-2-(8-Bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3/t7-/m1/s1
Affinity DataKi:  0.300nMAssay Description:Binding ability of compound at cloned human 5-hydroxytryptamine 2C receptor using [125 I]DOI as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50052337(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
Affinity DataKi:  0.300nMAssay Description:Agonistic activity at cloned human 5-hydroxytryptamine 2C receptor using [125I]-DOI as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50557505(CHEMBL4776557)
Show SMILES CCCc1cccc2N3CCNC[C@H]3CCc12
Show InChI InChI=1S/C15H22N2/c1-2-4-12-5-3-6-15-14(12)8-7-13-11-16-9-10-17(13)15/h3,5-6,13,16H,2,4,7-11H2,1H3/t13-/m1/s1
Affinity DataKi:  0.316nMAssay Description:Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50206734(CHEMBL3959570)
Show SMILES C(c1cccs1)c1cccc2N3CCNCC3CCc12
Show InChI InChI=1S/C17H20N2S/c1-3-13(11-15-4-2-10-20-15)16-7-6-14-12-18-8-9-19(14)17(16)5-1/h1-5,10,14,18H,6-9,11-12H2
Affinity DataKi:  0.316nMAssay Description:Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50002630(CHEMBL377174)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C25H30N2O3/c1-19-6-8-20(9-7-19)22-12-15-27(25(22)28)21-10-11-23(29-2)24(18-21)30-17-16-26-13-4-3-5-14-26/h6-12,18H,3-5,13-17H2,1-2H3
Affinity DataKi:  0.320nMAssay Description:Binding affinity to human 5HT2C receptorChecked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50086063(5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...)
Show SMILES COc1cc2CCN(C(=O)Nc3ccc(C)c(c3)-c3cnccc3C)c2cc1C(F)(F)F
Show InChI InChI=1S/C24H22F3N3O2/c1-14-4-5-17(11-18(14)19-13-28-8-6-15(19)2)29-23(31)30-9-7-16-10-22(32-3)20(12-21(16)30)24(25,26)27/h4-6,8,10-13H,7,9H2,1-3H3,(H,29,31)
Affinity DataKi:  0.320nMAssay Description:Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand.Checked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
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:  0.340nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM21397(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
Affinity DataKi:  0.380nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Rattus norvegicus (Rat))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50115640((-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2...)
Show SMILES COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12
Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m0/s1
Affinity DataKi:  0.390nMAssay Description:The binding affinity of the compound at 5-hydroxytryptamine 2C receptor was determined using [3H]-mesulergineMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50217990(CHEMBL54560)
Show SMILES CSc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2S/c1-13-18(4-3-8-26-13)31-20-6-5-15(12-27-20)28-21(30)29-9-7-14-10-19(32-2)16(11-17(14)29)22(23,24)25/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
Affinity DataKi:  0.398nMAssay Description:Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergineMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50206719(CHEMBL3956394)
Show SMILES Fc1ccc2N3CCNCC3CCc2c1Cc1ccccc1
Show InChI InChI=1S/C19H21FN2/c20-18-8-9-19-16(7-6-15-13-21-10-11-22(15)19)17(18)12-14-4-2-1-3-5-14/h1-5,8-9,15,21H,6-7,10-13H2
Affinity DataKi:  0.398nMAssay Description:Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50471324(CHEMBL318639)
Show SMILES COc1ccc2c(c1)-c1c(ccn1CC(C)N)C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-11(18)10-19-8-7-15-16(19)13-9-12(20-4)5-6-14(13)17(15,2)3/h5-9,11H,10,18H2,1-4H3
Affinity DataKi:  0.398nMAssay Description:Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOBMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50476485(CHEMBL234739)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cc(F)cc(c2C1=O)C(F)(F)F
Show InChI InChI=1S/C24H26F4N2O3/c1-15-5-7-29(8-6-15)9-10-33-21-13-18(3-4-20(21)32-2)30-14-16-11-17(25)12-19(24(26,27)28)22(16)23(30)31/h3-4,11-13,15H,5-10,14H2,1-2H3
Affinity DataKi:  0.398nMAssay Description:Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50206725(CHEMBL3947276)
Show SMILES CCCc1cccc2N3CCNCC3CCc12
Show InChI InChI=1S/C15H22N2/c1-2-4-12-5-3-6-15-14(12)8-7-13-11-16-9-10-17(13)15/h3,5-6,13,16H,2,4,7-11H2,1H3
Affinity DataKi:  0.398nMAssay Description:Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50218198(CHEMBL55914)
Show SMILES Cc1cc(NC(=O)N2CCc3cc(C)c(cc23)C(F)(F)F)cnc1OCc1ccccn1
Show InChI InChI=1S/C23H21F3N4O2/c1-14-9-16-6-8-30(20(16)11-19(14)23(24,25)26)22(31)29-18-10-15(2)21(28-12-18)32-13-17-5-3-4-7-27-17/h3-5,7,9-12H,6,8,13H2,1-2H3,(H,29,31)
Affinity DataKi:  0.398nMAssay Description:In vitro binding affinity at human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by [3H]mesulergine displacement.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
Affinity DataKi:  0.400nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Rattus norvegicus (Rat))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50098530(1-Methyl-2-(8-trifluoromethyl-benzo[1,2-b;4,5-b']d...)
Show SMILES C[C@@H]([NH3+])Cc1c2ccoc2c(c2ccoc12)C(F)(F)F
Show InChI InChI=1S/C14H12F3NO2/c1-7(18)6-10-8-2-4-20-13(8)11(14(15,16)17)9-3-5-19-12(9)10/h2-5,7H,6,18H2,1H3/p+1/t7-/m1/s1
Affinity DataKi:  0.400nMAssay Description:Binding affinity at cloned rat 5-hydroxytryptamine 2C receptor using [3H]-DOI as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50086073(5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...)
Show SMILES COc1cc2CCN(C(=O)Nc3cncc(c3)-c3cnccc3C)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-3-5-26-12-17(13)15-7-16(11-27-10-15)28-21(30)29-6-4-14-8-20(31-2)18(9-19(14)29)22(23,24)25/h3,5,7-12H,4,6H2,1-2H3,(H,28,30)
Affinity DataKi:  0.400nMAssay Description:Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand.Checked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Rattus norvegicus (Rat))
Purdue University

Curated by ChEMBL
LigandPNGBDBM35256((S)-mianserin | Lerivon | MIANSERIN | MIANSERIN (+...)
Show SMILES CN1CCN2[C@H](C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1
Affinity DataKi:  0.400nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50001775((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=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
Affinity DataKi:  0.440nM ΔG°:  -49.6kJ/moleT: 2°CAssay Description:For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM30704((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
Show InChI InChI=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
Affinity DataKi:  0.470nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM85097(CAS_181632-25-7 | CHEMBL14563 | SB 242084)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl
Show InChI InChI=1S/C21H19ClN4O2/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27)
Affinity DataKi:  0.480nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50086068(5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...)
Show SMILES COc1cc2CCN(C(=O)Nc3cc4CCOc4c(c3)-c3cccnc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C24H20F3N3O3/c1-32-21-10-14-4-7-30(20(14)12-19(21)24(25,26)27)23(31)29-17-9-15-5-8-33-22(15)18(11-17)16-3-2-6-28-13-16/h2-3,6,9-13H,4-5,7-8H2,1H3,(H,29,31)
Affinity DataKi:  0.5nMAssay Description:Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand.Checked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50086246(CHEMBL3425758)
Show SMILES C(Nc1nc(Cc2ccccc2)cc2CCNCCc12)C1CC1
Show InChI InChI=1S/C20H25N3/c1-2-4-15(5-3-1)12-18-13-17-8-10-21-11-9-19(17)20(23-18)22-14-16-6-7-16/h1-5,13,16,21H,6-12,14H2,(H,22,23)
Affinity DataKi:  0.5nMAssay Description:Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...More data for this Ligand-Target Pair
Displayed 1 to 50 (of 6645 total ) | Next | Last >>
Jump to: