Compile Data Set for Download or QSAR
Found 239 with Last Name = 'maeng' and Initial = 'jh'
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM93624(5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4...)
Show SMILES Cc1nc[nH]c1CN1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)
Affinity DataKi:  0.5nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329746(CHEMBL1271731 | endo-2-((3S,5S)-3,5-dimethylmorpho...)
Show SMILES C[C@H]1COC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1S/C23H32N4O3/c1-14-12-29-13-15(2)27(14)23-25-21-19(8-5-9-20(21)30-23)22(28)24-16-10-17-6-4-7-18(11-16)26(17)3/h5,8-9,14-18H,4,6-7,10-13H2,1-3H3,(H,24,28)/t14-,15-,17+,18+/m0/s1
Affinity DataKi:  0.600nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329748(CHEMBL1271791 | endo-2-((3S,5S)-3-ethyl-5-methylmo...)
Show SMILES CC[C@H]1COC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1S/C24H34N4O3/c1-4-17-14-30-13-15(2)28(17)24-26-22-20(9-6-10-21(22)31-24)23(29)25-16-11-18-7-5-8-19(12-16)27(18)3/h6,9-10,15-19H,4-5,7-8,11-14H2,1-3H3,(H,25,29)/t15-,17-,18+,19+/m0/s1
Affinity DataKi:  1nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329745(CHEMBL1271730 | endo-2-((S)-3-tert-butylmorpholino...)
Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)N1CCOC[C@@H]1C(C)(C)C
Show InChI InChI=1S/C25H36N4O3/c1-25(2,3)21-15-31-12-11-29(21)24-27-22-19(9-6-10-20(22)32-24)23(30)26-16-13-17-7-5-8-18(14-16)28(17)4/h6,9-10,16-18,21H,5,7-8,11-15H2,1-4H3,(H,26,30)/t17-,18-,21-/m1/s1
Affinity DataKi:  2nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329724(CHEMBL1271960 | endo-2-((2S,6S)-2,6-dimethylpipera...)
Show SMILES C[C@H]1CNC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1S/C23H33N5O2/c1-14-12-24-13-15(2)28(14)23-26-21-19(8-5-9-20(21)30-23)22(29)25-16-10-17-6-4-7-18(11-16)27(17)3/h5,8-9,14-18,24H,4,6-7,10-13H2,1-3H3,(H,25,29)/t14-,15-,17+,18+/m0/s1
Affinity DataKi:  2.40nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
Affinity DataKi:  3.40nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329744(CHEMBL1271678 | endo-2-((S)-3-isobutylmorpholino)-...)
Show SMILES CC(C)C[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1S/C25H36N4O3/c1-16(2)12-20-15-31-11-10-29(20)25-27-23-21(8-5-9-22(23)32-25)24(30)26-17-13-18-6-4-7-19(14-17)28(18)3/h5,8-9,16-20H,4,6-7,10-15H2,1-3H3,(H,26,30)/t18-,19-,20+/m1/s1
Affinity DataKi:  3.5nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329742(CHEMBL1271629 | endo-N-((1R,5R)-9-methyl-9-azabicy...)
Show SMILES CCC[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1S/C24H34N4O3/c1-3-6-19-15-30-12-11-28(19)24-26-22-20(9-5-10-21(22)31-24)23(29)25-16-13-17-7-4-8-18(14-16)27(17)2/h5,9-10,16-19H,3-4,6-8,11-15H2,1-2H3,(H,25,29)/t17-,18-,19+/m1/s1
Affinity DataKi:  3.90nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329741(CHEMBL1271628 | endo-2-((S)-3-ethylmorpholino)-N-(...)
Show SMILES CC[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1S/C23H32N4O3/c1-3-16-14-29-11-10-27(16)23-25-21-19(8-5-9-20(21)30-23)22(28)24-15-12-17-6-4-7-18(13-15)26(17)2/h5,8-9,15-18H,3-4,6-7,10-14H2,1-2H3,(H,24,28)/t16-,17+,18+/m0/s1
Affinity DataKi:  4.60nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329730((S)-2-amino-6-chloro-N-(quinuclidin-3-yl)benzo[d]o...)
Show SMILES Nc1nc2c(cc(Cl)cc2o1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C15H17ClN4O2/c16-9-5-10(13-12(6-9)22-15(17)19-13)14(21)18-11-7-20-3-1-8(11)2-4-20/h5-6,8,11H,1-4,7H2,(H2,17,19)(H,18,21)/t11-/m1/s1
Affinity DataKi:  4.70nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329743(CHEMBL1271677 | endo-2-((S)-3-isopropylmorpholino)...)
Show SMILES CC(C)[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1S/C24H34N4O3/c1-15(2)20-14-30-11-10-28(20)24-26-22-19(8-5-9-21(22)31-24)23(29)25-16-12-17-6-4-7-18(13-16)27(17)3/h5,8-9,15-18,20H,4,6-7,10-14H2,1-3H3,(H,25,29)/t17-,18-,20-/m1/s1
Affinity DataKi:  5nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329747(2-((3S,5S)-3,5-dimethylmorpholino)-N-((S)-quinucli...)
Show SMILES C[C@H]1COC[C@H](C)N1c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C21H28N4O3/c1-13-11-27-12-14(2)25(13)21-23-19-16(4-3-5-18(19)28-21)20(26)22-17-10-24-8-6-15(17)7-9-24/h3-5,13-15,17H,6-12H2,1-2H3,(H,22,26)/t13-,14-,17+/m0/s1
Affinity DataKi:  6.80nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329728(CHEMBL1272073 | endo-2-cyclopropyl-N-((1R,5R)-9-me...)
Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)C1CC1
Show InChI InChI=1S/C20H25N3O2/c1-23-14-4-2-5-15(23)11-13(10-14)21-19(24)16-6-3-7-17-18(16)22-20(25-17)12-8-9-12/h3,6-7,12-15H,2,4-5,8-11H2,1H3,(H,21,24)/t14-,15-/m1/s1
Affinity DataKi:  8.30nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329754((S)-2-(diethylamino)-N-(quinuclidin-3-yl)benzo[d]o...)
Show SMILES CCN(CC)c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C19H26N4O2/c1-3-23(4-2)19-21-17-14(6-5-7-16(17)25-19)18(24)20-15-12-22-10-8-13(15)9-11-22/h5-7,13,15H,3-4,8-12H2,1-2H3,(H,20,24)/t15-/m1/s1
Affinity DataKi:  12.4nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329739(CHEMBL1271570 | endo-N-(8-methyl-8-azabicyclo[3.2....)
Show SMILES C[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1S/C22H30N4O3/c1-14-13-28-10-9-26(14)22-24-20-18(7-4-8-19(20)29-22)21(27)23-15-11-16-5-3-6-17(12-15)25(16)2/h4,7-8,14-17H,3,5-6,9-13H2,1-2H3,(H,23,27)/t14-,16+,17+/m0/s1
Affinity DataKi:  12.9nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329729((S)-2-amino-N-(quinuclidin-3-yl)benzo[d]oxazole-4-...)
Show SMILES Nc1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C15H18N4O2/c16-15-18-13-10(2-1-3-12(13)21-15)14(20)17-11-8-19-6-4-9(11)5-7-19/h1-3,9,11H,4-8H2,(H2,16,18)(H,17,20)/t11-/m1/s1
Affinity DataKi:  13.8nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329726(CHEMBL1272017 | endo-2-(2-methoxyphenyl)-N-((1R,5R...)
Show SMILES COc1ccccc1-c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1S/C24H27N3O3/c1-27-16-7-5-8-17(27)14-15(13-16)25-23(28)19-10-6-12-21-22(19)26-24(30-21)18-9-3-4-11-20(18)29-2/h3-4,6,9-12,15-17H,5,7-8,13-14H2,1-2H3,(H,25,28)/t16-,17-/m1/s1
Affinity DataKi:  14.9nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329731(CHEMBL1272174 | endo-N-((1R,5R)-9-methyl-9-azabicy...)
Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c1-26-17-9-5-10-18(26)14-16(13-17)24-22(27)19-11-6-12-20-21(19)25-23(28-20)15-7-3-2-4-8-15/h2-4,6-8,11-12,16-18H,5,9-10,13-14H2,1H3,(H,24,27)/t17-,18-/m1/s1
Affinity DataKi:  15.1nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329732(CHEMBL1272175 | endo-2-(4-fluorophenyl)-N-((1R,5R)...)
Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O2/c1-27-17-4-2-5-18(27)13-16(12-17)25-22(28)19-6-3-7-20-21(19)26-23(29-20)14-8-10-15(24)11-9-14/h3,6-11,16-18H,2,4-5,12-13H2,1H3,(H,25,28)/t17-,18-/m1/s1
Affinity DataKi:  16.3nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329751(CHEMBL1271904 | endo-N-((1R,5R)-9-methyl-9-azabicy...)
Show SMILES C[C@H]1CNCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1S/C22H31N5O2/c1-14-13-23-9-10-27(14)22-25-20-18(7-4-8-19(20)29-22)21(28)24-15-11-16-5-3-6-17(12-15)26(16)2/h4,7-8,14-17,23H,3,5-6,9-13H2,1-2H3,(H,24,28)/t14-,16+,17+/m0/s1
Affinity DataKi:  16.5nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329733(CHEMBL1272230 | endo-2-(4-chlorophenyl)-N-((1R,5R)...)
Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN3O2/c1-27-17-4-2-5-18(27)13-16(12-17)25-22(28)19-6-3-7-20-21(19)26-23(29-20)14-8-10-15(24)11-9-14/h3,6-11,16-18H,2,4-5,12-13H2,1H3,(H,25,28)/t17-,18-/m1/s1
Affinity DataKi:  18nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329756((S)-2-(dimethylamino)-N-(quinuclidin-3-yl)benzo[d]...)
Show SMILES CN(C)c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H22N4O2/c1-20(2)17-19-15-12(4-3-5-14(15)23-17)16(22)18-13-10-21-8-6-11(13)7-9-21/h3-5,11,13H,6-10H2,1-2H3,(H,18,22)/t13-/m1/s1
Affinity DataKi:  18.2nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329734(CHEMBL1272231 | endo-2-(4-methoxyphenyl)-N-((1R,5R...)
Show SMILES COc1ccc(cc1)-c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1S/C24H27N3O3/c1-27-17-5-3-6-18(27)14-16(13-17)25-23(28)20-7-4-8-21-22(20)26-24(30-21)15-9-11-19(29-2)12-10-15/h4,7-12,16-18H,3,5-6,13-14H2,1-2H3,(H,25,28)/t17-,18-/m1/s1
Affinity DataKi:  18.8nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329727((S)-2-cyclopropyl-N-(quinuclidin-3-yl)benzo[d]oxaz...)
Show SMILES O=C(N[C@@H]1CN2CCC1CC2)c1cccc2oc(nc12)C1CC1
Show InChI InChI=1S/C18H21N3O2/c22-17(19-14-10-21-8-6-11(14)7-9-21)13-2-1-3-15-16(13)20-18(23-15)12-4-5-12/h1-3,11-12,14H,4-10H2,(H,19,22)/t14-/m1/s1
Affinity DataKi:  32.7nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329749(CHEMBL1271848 | endo-2-((2R,6S)-2,6-dimethylmorpho...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1S/C23H32N4O3/c1-14-12-27(13-15(2)29-14)23-25-21-19(8-5-9-20(21)30-23)22(28)24-16-10-17-6-4-7-18(11-16)26(17)3/h5,8-9,14-18H,4,6-7,10-13H2,1-3H3,(H,24,28)/t14-,15+,17-,18-/m1/s1
Affinity DataKi:  35.3nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329758((S)-2-(methylamino)-N-(quinuclidin-3-yl)benzo[d]ox...)
Show SMILES CNc1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H20N4O2/c1-17-16-19-14-11(3-2-4-13(14)22-16)15(21)18-12-9-20-7-5-10(12)6-8-20/h2-4,10,12H,5-9H2,1H3,(H,17,19)(H,18,21)/t12-/m1/s1
Affinity DataKi:  36.4nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329757((S)-2-(ethylamino)-N-(quinuclidin-3-yl)benzo[d]oxa...)
Show SMILES CCNc1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H22N4O2/c1-2-18-17-20-15-12(4-3-5-14(15)23-17)16(22)19-13-10-21-8-6-11(13)7-9-21/h3-5,11,13H,2,6-10H2,1H3,(H,18,20)(H,19,22)/t13-/m1/s1
Affinity DataKi:  36.4nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329752(CHEMBL1271905 | endo-2-((2S,6R)-2,6-dimethylpipera...)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1S/C23H33N5O2/c1-14-12-24-13-15(2)28(14)23-26-21-19(8-5-9-20(21)30-23)22(29)25-16-10-17-6-4-7-18(11-16)27(17)3/h5,8-9,14-18,24H,4,6-7,10-13H2,1-3H3,(H,25,29)/t14-,15+,17-,18-/m1/s1
Affinity DataKi:  37.3nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329722(CHEMBL1271519 | endo-N-((1R,5R)-9-methyl-9-azabicy...)
Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)N1CCOCC1
Show InChI InChI=1S/C21H28N4O3/c1-24-15-4-2-5-16(24)13-14(12-15)22-20(26)17-6-3-7-18-19(17)23-21(28-18)25-8-10-27-11-9-25/h3,6-7,14-16H,2,4-5,8-13H2,1H3,(H,22,26)/t15-,16-/m1/s1
Affinity DataKi:  40nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329735(CHEMBL1272283 | endo-N-((1R,5R)-9-methyl-9-azabicy...)
Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2nc(oc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c1-26-17-9-5-10-18(26)14-16(13-17)24-22(27)19-11-6-12-20-21(19)28-23(25-20)15-7-3-2-4-8-15/h2-4,6-8,11-12,16-18H,5,9-10,13-14H2,1H3,(H,24,27)/t17-,18-/m1/s1
Affinity DataKi:  40.4nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329725((S)-2-(2-methoxyphenyl)-N-(quinuclidin-8-yl)benzo[...)
Show SMILES COc1ccccc1-c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C22H23N3O3/c1-27-18-7-3-2-5-15(18)22-24-20-16(6-4-8-19(20)28-22)21(26)23-17-13-25-11-9-14(17)10-12-25/h2-8,14,17H,9-13H2,1H3,(H,23,26)/t17-/m1/s1
Affinity DataKi:  47.3nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329738(CHEMBL1271466 | endo-2-(4-methoxyphenyl)-N-((1R,5R...)
Show SMILES COc1ccc(cc1)-c1nc2cccc(C(=O)NC3C[C@H]4CCC[C@H](C3)N4C)c2o1
Show InChI InChI=1S/C24H27N3O3/c1-27-17-5-3-6-18(27)14-16(13-17)25-23(28)20-7-4-8-21-22(20)30-24(26-21)15-9-11-19(29-2)12-10-15/h4,7-12,16-18H,3,5-6,13-14H2,1-2H3,(H,25,28)/t17-,18-/m1/s1
Affinity DataKi:  58.5nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329753(CHEMBL1271959 | endo-2-((2R,6R)-2,6-dimethylpipera...)
Show SMILES C[C@@H]1CNC[C@@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1S/C23H33N5O2/c1-14-12-24-13-15(2)28(14)23-26-21-19(8-5-9-20(21)30-23)22(29)25-16-10-17-6-4-7-18(11-16)27(17)3/h5,8-9,14-18,24H,4,6-7,10-13H2,1-3H3,(H,25,29)/t14-,15-,17-,18-/m1/s1
Affinity DataKi:  59.4nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329755(2-(1-(methylamino)ethyl)-N-((S)-quinuclidin-3-yl)b...)
Show SMILES CC(C)N(C)c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C19H26N4O2/c1-12(2)22(3)19-21-17-14(5-4-6-16(17)25-19)18(24)20-15-11-23-9-7-13(15)8-10-23/h4-6,12-13,15H,7-11H2,1-3H3,(H,20,24)/t15-/m1/s1
Affinity DataKi:  66.5nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329750(CHEMBL1271849 | endo-N-((1R,5R)-9-methyl-9-azabicy...)
Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)N1CCNCC1
Show InChI InChI=1S/C21H29N5O2/c1-25-15-4-2-5-16(25)13-14(12-15)23-20(27)17-6-3-7-18-19(17)24-21(28-18)26-10-8-22-9-11-26/h3,6-7,14-16,22H,2,4-5,8-13H2,1H3,(H,23,27)/t15-,16-/m1/s1
Affinity DataKi:  72.2nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329737(CHEMBL1271465 | endo-2-(4-chlorophenyl)-N-((1R,5R)...)
Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2nc(oc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN3O2/c1-27-17-4-2-5-18(27)13-16(12-17)25-22(28)19-6-3-7-20-21(19)29-23(26-20)14-8-10-15(24)11-9-14/h3,6-11,16-18H,2,4-5,12-13H2,1H3,(H,25,28)/t17-,18-/m1/s1
Affinity DataKi:  73.8nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329740(CHEMBL1271571 | N-((1R,5R)-9-methyl-9-azabicyclo[3...)
Show SMILES C[C@@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C
Show InChI InChI=1S/C22H30N4O3/c1-14-13-28-10-9-26(14)22-24-20-18(7-4-8-19(20)29-22)21(27)23-15-11-16-5-3-6-17(12-15)25(16)2/h4,7-8,14-17H,3,5-6,9-13H2,1-2H3,(H,23,27)/t14-,16-,17-/m1/s1
Affinity DataKi:  92.6nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329736(CHEMBL1272284 | endo-2-(4-fluorophenyl)-N-((1R,5R)...)
Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2nc(oc12)-c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O2/c1-27-17-4-2-5-18(27)13-16(12-17)25-22(28)19-6-3-7-20-21(19)29-23(26-20)14-8-10-15(24)11-9-14/h3,6-11,16-18H,2,4-5,12-13H2,1H3,(H,25,28)/t17-,18-/m1/s1
Affinity DataKi:  94.9nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50329723((S)-2-morpholino-N-(quinuclidin-3-yl)benzo[d]oxazo...)
Show SMILES O=C(N[C@@H]1CN2CCC1CC2)c1cccc2oc(nc12)N1CCOCC1
Show InChI InChI=1S/C19H24N4O3/c24-18(20-15-12-22-6-4-13(15)5-7-22)14-2-1-3-16-17(14)21-19(26-16)23-8-10-25-11-9-23/h1-3,13,15H,4-12H2,(H,20,24)/t15-/m1/s1
Affinity DataKi:  165nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair
TargetSodium- and chloride-dependent glycine transporter 1(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50533742(CHEMBL4593786)
Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(cc2Cl)C(F)(F)F)CCC(F)(F)CC1
Show InChI InChI=1S/C22H26ClF5N6O3S.ClH/c1-32-13-18(30-31-32)38(36,37)34-10-8-33(9-11-34)20(4-6-21(24,25)7-5-20)14-29-19(35)16-3-2-15(12-17(16)23)22(26,27)28;/h2-3,12-13H,4-11,14H2,1H3,(H,29,35);1H
Affinity DataIC50: 0.671nMAssay Description:Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium- and chloride-dependent glycine transporter 1(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50533732(CHEMBL4526580)
Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(Cl)cccc2OC(F)(F)F)CCC(F)(F)CC1
Show InChI InChI=1S/C22H26ClF5N6O4S.ClH/c1-32-13-17(30-31-32)39(36,37)34-11-9-33(10-12-34)20(5-7-21(24,25)8-6-20)14-29-19(35)18-15(23)3-2-4-16(18)38-22(26,27)28;/h2-4,13H,5-12,14H2,1H3,(H,29,35);1H
Affinity DataIC50: 0.726nMAssay Description:Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium- and chloride-dependent glycine transporter 1(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50533748(CHEMBL4468117)
Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(cc2C(F)(F)F)C(F)(F)F)CCC(F)(F)CC1
Show InChI InChI=1S/C23H26F8N6O3S.ClH/c1-35-13-18(33-34-35)41(39,40)37-10-8-36(9-11-37)20(4-6-21(24,25)7-5-20)14-32-19(38)16-3-2-15(22(26,27)28)12-17(16)23(29,30)31;/h2-3,12-13H,4-11,14H2,1H3,(H,32,38);1H
Affinity DataIC50: 0.733nMAssay Description:Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium/glucose cotransporter 2(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM20880((2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)me...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
Affinity DataIC50: 1nMAssay Description:Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...More data for this Ligand-Target Pair
TargetSodium- and chloride-dependent glycine transporter 1(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50533724(CHEMBL4448986)
Show SMILES Cl.CC(NC(=O)c1ccc(cc1Cl)C(F)(F)F)C1(CCC(F)(F)CC1)N1CCN(CC1)S(=O)(=O)c1cn(C)nn1
Show InChI InChI=1S/C23H28ClF5N6O3S.ClH/c1-15(30-20(36)17-4-3-16(13-18(17)24)23(27,28)29)21(5-7-22(25,26)8-6-21)34-9-11-35(12-10-34)39(37,38)19-14-33(2)32-31-19;/h3-4,13-15H,5-12H2,1-2H3,(H,30,36);1H
Affinity DataIC50: 1nMAssay Description:Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium- and chloride-dependent glycine transporter 1(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50533727(CHEMBL4456392)
Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(F)cc2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C21H26ClF3N6O3S.ClH/c1-29-13-18(27-28-29)35(33,34)31-10-8-30(9-11-31)20(4-6-21(24,25)7-5-20)14-26-19(32)16-3-2-15(23)12-17(16)22;/h2-3,12-13H,4-11,14H2,1H3,(H,26,32);1H
Affinity DataIC50: 1.10nMAssay Description:Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium- and chloride-dependent glycine transporter 1(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50533724(CHEMBL4448986)
Show SMILES Cl.CC(NC(=O)c1ccc(cc1Cl)C(F)(F)F)C1(CCC(F)(F)CC1)N1CCN(CC1)S(=O)(=O)c1cn(C)nn1
Show InChI InChI=1S/C23H28ClF5N6O3S.ClH/c1-15(30-20(36)17-4-3-16(13-18(17)24)23(27,28)29)21(5-7-22(25,26)8-6-21)34-9-11-35(12-10-34)39(37,38)19-14-33(2)32-31-19;/h3-4,13-15H,5-12H2,1-2H3,(H,30,36);1H
Affinity DataIC50: 1.10nMAssay Description:Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium- and chloride-dependent glycine transporter 1(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50533730(CHEMBL4582587)
Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(Cl)cc2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C21H26Cl2F2N6O3S.ClH/c1-29-13-18(27-28-29)35(33,34)31-10-8-30(9-11-31)20(4-6-21(24,25)7-5-20)14-26-19(32)16-3-2-15(22)12-17(16)23;/h2-3,12-13H,4-11,14H2,1H3,(H,26,32);1H
Affinity DataIC50: 1.20nMAssay Description:Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium- and chloride-dependent glycine transporter 1(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50533749(CHEMBL4516089)
Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(Cl)cccc2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C21H26Cl2F2N6O3S.ClH/c1-29-13-17(27-28-29)35(33,34)31-11-9-30(10-12-31)20(5-7-21(24,25)8-6-20)14-26-19(32)18-15(22)3-2-4-16(18)23;/h2-4,13H,5-12,14H2,1H3,(H,26,32);1H
Affinity DataIC50: 1.30nMAssay Description:Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium- and chloride-dependent glycine transporter 1(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50533723(CHEMBL4572086)
Show SMILES Cl.Cn1cnc(c1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(Cl)cccc2OC(F)(F)F)CCC(F)(F)CC1
Show InChI InChI=1S/C23H27ClF5N5O4S.ClH/c1-32-13-18(31-15-32)39(36,37)34-11-9-33(10-12-34)21(5-7-22(25,26)8-6-21)14-30-20(35)19-16(24)3-2-4-17(19)38-23(27,28)29;/h2-4,13,15H,5-12,14H2,1H3,(H,30,35);1H
Affinity DataIC50: 1.5nMAssay Description:Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium- and chloride-dependent glycine transporter 1(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50533725(CHEMBL4579165)
Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(Cl)cc2Cl)CCCCC1
Show InChI InChI=1S/C21H28Cl2N6O3S.ClH/c1-27-14-19(25-26-27)33(31,32)29-11-9-28(10-12-29)21(7-3-2-4-8-21)15-24-20(30)17-6-5-16(22)13-18(17)23;/h5-6,13-14H,2-4,7-12,15H2,1H3,(H,24,30);1H
Affinity DataIC50: 1.5nMAssay Description:Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Displayed 1 to 50 (of 239 total ) | Next | Last >>
Jump to: