Compile Data Set for Download or QSAR
Found 23 of ic50 for UniProtKB: P28335
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50005836(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
Affinity DataIC50: 6.10nMAssay Description:Concentration required for inhibition of 5-hydroxytryptamine 2 receptor using [3H]ketanserin as the radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50005836(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
Affinity DataIC50: 6.10nMAssay Description:Binding affinity to 5HT2 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM82368(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
Affinity DataIC50: 10nMAssay Description:The compound was evaluated for its ability to displace [3H]ketanserin from 5-hydroxytryptamine 2 receptor in cellular brain membranesMore data for this Ligand-Target Pair
In DepthDetails
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50212607(CHEMBL57330)
Show SMILES CCCN(CCCCNC(=O)c1cc(=O)oc2c3CCCN4CCCc(cc12)c34)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C33H41N3O5/c1-3-14-35(23-19-27-28(39-2)11-6-12-29(27)40-21-23)15-5-4-13-34-33(38)26-20-30(37)41-32-24-10-8-17-36-16-7-9-22(31(24)36)18-25(26)32/h6,11-12,18,20,23H,3-5,7-10,13-17,19,21H2,1-2H3,(H,34,38)
Affinity DataIC50: 15nMAssay Description:The compound was evaluated for its ability to displace [3H]ketanserin from 5-hydroxytryptamine 2 receptor in cellular brain membranesMore data for this Ligand-Target Pair
In DepthDetails
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50286670(2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-naphth...)
Show SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3cccc4ccccc34)cc12
Show InChI InChI=1S/C26H28N4O2/c27-11-10-20-17-28-24-9-8-21(16-23(20)24)32-18-26(31)30-14-12-29(13-15-30)25-7-3-5-19-4-1-2-6-22(19)25/h1-9,16-17,28H,10-15,18,27H2
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor alpha was determinedMore data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50403897(CHEMBL334923)
Show SMILES CN(C)CCO\N=C1\c2cccn2-c2c(C)csc12
Show InChI InChI=1S/C14H17N3OS/c1-10-9-19-14-12(15-18-8-7-16(2)3)11-5-4-6-17(11)13(10)14/h4-6,9H,7-8H2,1-3H3/b15-12-
Affinity DataIC50: 3.16E+3nMAssay Description:Binding affinity towards 5-hydroxytryptamine 3 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50181840((1R,7aS)-hexahydro-1H-pyrrolizin-1-ylmethyl 1-Meth...)
Show SMILES O=C(OC[C@@H]1CCN2CCC[C@@H]12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H20N2O2/c20-17(14-10-18-15-5-2-1-4-13(14)15)21-11-12-7-9-19-8-3-6-16(12)19/h1-2,4-5,10,12,16,18H,3,6-9,11H2/t12-,16-/m0/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Binding affinity to 5HT2 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50181836(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(CC13)C2
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
Affinity DataIC50: 1.00E+4nMAssay Description:Binding affinity to 5HT2 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50284689(7-Chloro-2-((E)-2-{3-[4-(2-methyl-imidazo[4,5-c]py...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)cc1
Show InChI InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3/b9-5+
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory concentration against 5-hydroxytryptamine 2 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50284690(1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1
Show InChI InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory concentration against 5-hydroxytryptamine 2 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory concentration against 5-hydroxytryptamine 2 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50289986(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
Affinity DataIC50: 1.00E+4nMAssay Description:Compound was tested for inhibitory activity against 5-hydroxytryptamine 2 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50033447(2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-o-toly...)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C23H28N4O2/c1-17-4-2-3-5-22(17)26-10-12-27(13-11-26)23(28)16-29-19-6-7-21-20(14-19)18(8-9-24)15-25-21/h2-7,14-15,25H,8-13,16,24H2,1H3
Affinity DataIC50: 1.00E+4nMAssay Description:Compound was tested for its ability to inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-HT 1A receptor in HeLa cells; va...More data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50005833((exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Binding affinity to 5HT2 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50181839(CHEMBL202434 | N-exo-((4S,7alphaS)-tetrahydro-1H-p...)
Show SMILES Clc1cc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2nccn2c1
Show InChI InChI=1S/C16H19ClN4O/c17-12-8-13(15-18-4-7-21(15)10-12)16(22)19-9-11-3-6-20-5-1-2-14(11)20/h4,7-8,10-11,14H,1-3,5-6,9H2,(H,19,22)/t11-,14-/m0/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Binding affinity to 5HT2 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50181837((1S,7aR)-hexahydro-1H-pyrrolizin-1-ylmethyl 1-meth...)
Show SMILES Cn1nc(C(=O)OC[C@@H]2CCN3CCC[C@@H]23)c2ccccc12
Show InChI InChI=1S/C17H21N3O2/c1-19-15-6-3-2-5-13(15)16(18-19)17(21)22-11-12-8-10-20-9-4-7-14(12)20/h2-3,5-6,12,14H,4,7-11H2,1H3/t12-,14-/m0/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Binding affinity to 5HT2 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50181841((1S,7aR)-hexahydro-1H-pyrrolizin-1-ylmethyl 1H-ind...)
Show SMILES O=C(OC[C@@H]1CCN2CCC[C@@H]12)c1[nH]nc2ccccc12
Show InChI InChI=1S/C16H19N3O2/c20-16(15-12-4-1-2-5-13(12)17-18-15)21-10-11-7-9-19-8-3-6-14(11)19/h1-2,4-5,11,14H,3,6-10H2,(H,17,18)/t11-,14-/m0/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Binding affinity to 5HT2 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50155153(4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-ylmet...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN(C3)C2
Show InChI InChI=1S/C18H24ClN3O2/c1-24-17-5-16(20)15(19)4-13(17)18(23)21-6-14-11-2-10-3-12(14)9-22(7-10)8-11/h4-5,10-12,14H,2-3,6-9,20H2,1H3,(H,21,23)/t10?,11?,12?,14-
Affinity DataIC50: 1.00E+4nMAssay Description:Concentration required for inhibition of 5-hydroxytryptamine 2 receptor using [3H]ketanserin as the radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50181836(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(CC13)C2
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
Affinity DataIC50: 1.00E+4nMAssay Description:Concentration required for inhibition of 5-hydroxytryptamine 2 receptor using [3H]ketanserin as the radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50155152(4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CC1CN(C3)C2
Show InChI InChI=1S/C17H22ClN3O2/c1-23-15-5-14(19)13(18)4-12(15)17(22)20-16-10-2-9-3-11(16)8-21(6-9)7-10/h4-5,9-11,16H,2-3,6-8,19H2,1H3,(H,20,22)/t9?,10?,11?,16-
Affinity DataIC50: 1.00E+4nMAssay Description:Concentration required for inhibition of 5-hydroxytryptamine 2 receptor using [3H]ketanserin as the radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50036868(2-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...)
Show SMILES CCCN(CCCCN1C(=O)c2ccccc2S1(=O)=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H30N2O5S/c1-3-13-25(18-16-20-21(30-2)10-8-11-22(20)31-17-18)14-6-7-15-26-24(27)19-9-4-5-12-23(19)32(26,28)29/h4-5,8-12,18H,3,6-7,13-17H2,1-2H3
Affinity DataIC50: 1.00E+4nMAssay Description:The compound was evaluated for its ability to displace [3H]ketanserin from 5-hydroxytryptamine 2 receptor in cellular brain membranesMore data for this Ligand-Target Pair
In DepthDetails
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50212622(CHEMBL57187)
Show SMILES CCCN(CCCCNc1ccc([N+]([O-])=O)c2nonc12)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C23H29N5O5/c1-3-12-27(16-14-17-20(31-2)7-6-8-21(17)32-15-16)13-5-4-11-24-18-9-10-19(28(29)30)23-22(18)25-33-26-23/h6-10,16,24H,3-5,11-15H2,1-2H3
Affinity DataIC50: 1.80E+4nMAssay Description:The compound was evaluated for its ability to displace [3H]ketanserin from 5-hydroxytryptamine 2 receptor in cellular brain membranesMore data for this Ligand-Target Pair
In DepthDetails
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50036844(2-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...)
Show SMILES CCCN(CCCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C25H30N2O4/c1-3-13-26(18-16-21-22(30-2)11-8-12-23(21)31-17-18)14-6-7-15-27-24(28)19-9-4-5-10-20(19)25(27)29/h4-5,8-12,18H,3,6-7,13-17H2,1-2H3
Affinity DataIC50: 3.00E+4nMAssay Description:The compound was evaluated for its ability to displace [3H]ketanserin from 5-hydroxytryptamine 2 receptor in cellular brain membranesMore data for this Ligand-Target Pair
In DepthDetails