Compile Data Set for Download or QSAR
Found 39 Enz. Inhib. hit(s) with all data for entry = 50037641
TargetD(4) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50152303(CHEMBL361035 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-3-...)
Show SMILES O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(c1)-c1cccs1
Show InChI InChI=1S/C22H22N2OS/c25-22(19-9-4-8-18(14-19)21-10-5-13-26-21)23-20-11-12-24(16-20)15-17-6-2-1-3-7-17/h1-10,13-14,20H,11-12,15-16H2,(H,23,25)/t20-/m0/s1
Affinity DataKi:  1.5nMAssay Description:Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50152314((S)-N-(1-benzylpyrrolidin-3-yl)-4-(thiophen-2-yl)b...)
Show SMILES O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H22N2OS/c25-22(19-10-8-18(9-11-19)21-7-4-14-26-21)23-20-12-13-24(16-20)15-17-5-2-1-3-6-17/h1-11,14,20H,12-13,15-16H2,(H,23,25)/t20-/m0/s1
Affinity DataKi:  1.80nMAssay Description:Displacement of [3H]ketanserin from cloned human 5HT2A receptor in HEK298 cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50152314((S)-N-(1-benzylpyrrolidin-3-yl)-4-(thiophen-2-yl)b...)
Show SMILES O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H22N2OS/c25-22(19-10-8-18(9-11-19)21-7-4-14-26-21)23-20-12-13-24(16-20)15-17-5-2-1-3-6-17/h1-11,14,20H,12-13,15-16H2,(H,23,25)/t20-/m0/s1
Affinity DataKi:  3nMAssay Description:Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174001(CHEMBL381019 | N-[(S)-1-(4-Methyl-benzyl)-pyrrolid...)
Show SMILES Cc1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
Show InChI InChI=1S/C23H24N2OS/c1-17-7-9-18(10-8-17)15-25-12-11-21(16-25)24-23(26)20-5-2-4-19(14-20)22-6-3-13-27-22/h2-10,13-14,21H,11-12,15-16H2,1H3,(H,24,26)/t21-/m0/s1
Affinity DataKi:  4nMAssay Description:Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174000((S)-N-(1-(4-fluorobenzyl)pyrrolidin-3-yl)-4-(thiop...)
Show SMILES Fc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1
Show InChI InChI=1S/C22H21FN2OS/c23-19-9-3-16(4-10-19)14-25-12-11-20(15-25)24-22(26)18-7-5-17(6-8-18)21-2-1-13-27-21/h1-10,13,20H,11-12,14-15H2,(H,24,26)/t20-/m0/s1
Affinity DataKi:  5nMAssay Description:Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174006((S)-N-(1-(benzo[d][1,3]dioxol-5-ylmethyl)pyrrolidi...)
Show SMILES O=C(N[C@H]1CCN(Cc2ccc3OCOc3c2)C1)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C23H22N2O3S/c26-23(18-6-4-17(5-7-18)22-2-1-11-29-22)24-19-9-10-25(14-19)13-16-3-8-20-21(12-16)28-15-27-20/h1-8,11-12,19H,9-10,13-15H2,(H,24,26)/t19-/m0/s1
Affinity DataKi:  7nMAssay Description:Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174011((S)-N-(1-(4-(trifluoromethyl)benzyl)pyrrolidin-3-y...)
Show SMILES FC(F)(F)c1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1
Show InChI InChI=1S/C23H21F3N2OS/c24-23(25,26)19-9-3-16(4-10-19)14-28-12-11-20(15-28)27-22(29)18-7-5-17(6-8-18)21-2-1-13-30-21/h1-10,13,20H,11-12,14-15H2,(H,27,29)/t20-/m0/s1
Affinity DataKi:  14nMAssay Description:Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174003((S)-N-(1-(3-methoxybenzyl)pyrrolidin-3-yl)-4-(thio...)
Show SMILES COc1cccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)c1
Show InChI InChI=1S/C23H24N2O2S/c1-27-21-5-2-4-17(14-21)15-25-12-11-20(16-25)24-23(26)19-9-7-18(8-10-19)22-6-3-13-28-22/h2-10,13-14,20H,11-12,15-16H2,1H3,(H,24,26)/t20-/m0/s1
Affinity DataKi:  14nMAssay Description:Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174000((S)-N-(1-(4-fluorobenzyl)pyrrolidin-3-yl)-4-(thiop...)
Show SMILES Fc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1
Show InChI InChI=1S/C22H21FN2OS/c23-19-9-3-16(4-10-19)14-25-12-11-20(15-25)24-22(26)18-7-5-17(6-8-18)21-2-1-13-27-21/h1-10,13,20H,11-12,14-15H2,(H,24,26)/t20-/m0/s1
Affinity DataKi:  14nMAssay Description:Displacement of [3H]ketanserin from cloned human 5HT2A receptor in HEK298 cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174008((S)-N-(1-(3,4-difluorobenzyl)pyrrolidin-3-yl)-4-(t...)
Show SMILES Fc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1F
Show InChI InChI=1S/C22H20F2N2OS/c23-19-8-3-15(12-20(19)24)13-26-10-9-18(14-26)25-22(27)17-6-4-16(5-7-17)21-2-1-11-28-21/h1-8,11-12,18H,9-10,13-14H2,(H,25,27)/t18-/m0/s1
Affinity DataKi:  14nMAssay Description:Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174010((S)-N-(1-(3,4-dichlorobenzyl)pyrrolidin-3-yl)-4-(t...)
Show SMILES Clc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1Cl
Show InChI InChI=1S/C22H20Cl2N2OS/c23-19-8-3-15(12-20(19)24)13-26-10-9-18(14-26)25-22(27)17-6-4-16(5-7-17)21-2-1-11-28-21/h1-8,11-12,18H,9-10,13-14H2,(H,25,27)/t18-/m0/s1
Affinity DataKi:  15nMAssay Description:Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174004(CHEMBL197381 | N-((S)-1-(4-chlorobenzyl)pyrrolidin...)
Show SMILES Clc1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
Show InChI InChI=1S/C22H21ClN2OS/c23-19-8-6-16(7-9-19)14-25-11-10-20(15-25)24-22(26)18-4-1-3-17(13-18)21-5-2-12-27-21/h1-9,12-13,20H,10-11,14-15H2,(H,24,26)/t20-/m0/s1
Affinity DataKi:  16nMAssay Description:Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174008((S)-N-(1-(3,4-difluorobenzyl)pyrrolidin-3-yl)-4-(t...)
Show SMILES Fc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1F
Show InChI InChI=1S/C22H20F2N2OS/c23-19-8-3-15(12-20(19)24)13-26-10-9-18(14-26)25-22(27)17-6-4-16(5-7-17)21-2-1-11-28-21/h1-8,11-12,18H,9-10,13-14H2,(H,25,27)/t18-/m0/s1
Affinity DataKi:  16nMAssay Description:Displacement of [3H]ketanserin from cloned human 5HT2A receptor in HEK298 cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174002(CHEMBL370652 | N-((S)-1-(4-(trifluoromethyl)benzyl...)
Show SMILES FC(F)(F)c1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
Show InChI InChI=1S/C23H21F3N2OS/c24-23(25,26)19-8-6-16(7-9-19)14-28-11-10-20(15-28)27-22(29)18-4-1-3-17(13-18)21-5-2-12-30-21/h1-9,12-13,20H,10-11,14-15H2,(H,27,29)/t20-/m0/s1
Affinity DataKi:  21nMAssay Description:Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174003((S)-N-(1-(3-methoxybenzyl)pyrrolidin-3-yl)-4-(thio...)
Show SMILES COc1cccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)c1
Show InChI InChI=1S/C23H24N2O2S/c1-27-21-5-2-4-17(14-21)15-25-12-11-20(16-25)24-23(26)19-9-7-18(8-10-19)22-6-3-13-28-22/h2-10,13-14,20H,11-12,15-16H2,1H3,(H,24,26)/t20-/m0/s1
Affinity DataKi:  22nMAssay Description:Displacement of [3H]ketanserin from cloned human 5HT2A receptor in HEK298 cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174012((S)-N-(1-(3-(trifluoromethyl)benzyl)pyrrolidin-3-y...)
Show SMILES FC(F)(F)c1cccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)c1
Show InChI InChI=1S/C23H21F3N2OS/c24-23(25,26)19-4-1-3-16(13-19)14-28-11-10-20(15-28)27-22(29)18-8-6-17(7-9-18)21-5-2-12-30-21/h1-9,12-13,20H,10-11,14-15H2,(H,27,29)/t20-/m0/s1
Affinity DataKi:  22nMAssay Description:Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174010((S)-N-(1-(3,4-dichlorobenzyl)pyrrolidin-3-yl)-4-(t...)
Show SMILES Clc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1Cl
Show InChI InChI=1S/C22H20Cl2N2OS/c23-19-8-3-15(12-20(19)24)13-26-10-9-18(14-26)25-22(27)17-6-4-16(5-7-17)21-2-1-11-28-21/h1-8,11-12,18H,9-10,13-14H2,(H,25,27)/t18-/m0/s1
Affinity DataKi:  22nMAssay Description:Displacement of [3H]ketanserin from cloned human 5HT2A receptor in HEK298 cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174009((S)-N-(1-(2-fluorobenzyl)pyrrolidin-3-yl)-4-(thiop...)
Show SMILES Fc1ccccc1CN1CC[C@@H](C1)NC(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H21FN2OS/c23-20-5-2-1-4-18(20)14-25-12-11-19(15-25)24-22(26)17-9-7-16(8-10-17)21-6-3-13-27-21/h1-10,13,19H,11-12,14-15H2,(H,24,26)/t19-/m0/s1
Affinity DataKi:  33nMAssay Description:Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174005(CHEMBL373032 | N-((S)-1-(4-(trifluoromethoxy)benzy...)
Show SMILES FC(F)(F)Oc1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
Show InChI InChI=1S/C23H21F3N2O2S/c24-23(25,26)30-20-8-6-16(7-9-20)14-28-11-10-19(15-28)27-22(29)18-4-1-3-17(13-18)21-5-2-12-31-21/h1-9,12-13,19H,10-11,14-15H2,(H,27,29)/t19-/m0/s1
Affinity DataKi:  52nMAssay Description:Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50152303(CHEMBL361035 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-3-...)
Show SMILES O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(c1)-c1cccs1
Show InChI InChI=1S/C22H22N2OS/c25-22(19-9-4-8-18(14-19)21-10-5-13-26-21)23-20-11-12-24(16-20)15-17-6-2-1-3-7-17/h1-10,13-14,20H,11-12,15-16H2,(H,23,25)/t20-/m0/s1
Affinity DataKi:  60nMAssay Description:Displacement of [3H]spiperone from human dopamine D2(short) receptor in rat pituitary GH4C1 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174001(CHEMBL381019 | N-[(S)-1-(4-Methyl-benzyl)-pyrrolid...)
Show SMILES Cc1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
Show InChI InChI=1S/C23H24N2OS/c1-17-7-9-18(10-8-17)15-25-12-11-21(16-25)24-23(26)20-5-2-4-19(14-20)22-6-3-13-27-22/h2-10,13-14,21H,11-12,15-16H2,1H3,(H,24,26)/t21-/m0/s1
Affinity DataKi:  60nMAssay Description:Displacement of [3H]spiperone from human dopamine D2(short) receptor in rat pituitary GH4C1 cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174007((S)-N-(1-(4-(trifluoromethoxy)benzyl)pyrrolidin-3-...)
Show SMILES FC(F)(F)Oc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1
Show InChI InChI=1S/C23H21F3N2O2S/c24-23(25,26)30-20-9-3-16(4-10-20)14-28-12-11-19(15-28)27-22(29)18-7-5-17(6-8-18)21-2-1-13-31-21/h1-10,13,19H,11-12,14-15H2,(H,27,29)/t19-/m0/s1
Affinity DataKi:  78nMAssay Description:Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174011((S)-N-(1-(4-(trifluoromethyl)benzyl)pyrrolidin-3-y...)
Show SMILES FC(F)(F)c1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1
Show InChI InChI=1S/C23H21F3N2OS/c24-23(25,26)19-9-3-16(4-10-19)14-28-12-11-20(15-28)27-22(29)18-7-5-17(6-8-18)21-2-1-13-30-21/h1-10,13,20H,11-12,14-15H2,(H,27,29)/t20-/m0/s1
Affinity DataKi:  130nMAssay Description:Displacement of [3H]ketanserin from cloned human 5HT2A receptor in HEK298 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174007((S)-N-(1-(4-(trifluoromethoxy)benzyl)pyrrolidin-3-...)
Show SMILES FC(F)(F)Oc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1
Show InChI InChI=1S/C23H21F3N2O2S/c24-23(25,26)30-20-9-3-16(4-10-20)14-28-12-11-19(15-28)27-22(29)18-7-5-17(6-8-18)21-2-1-13-31-21/h1-10,13,19H,11-12,14-15H2,(H,27,29)/t19-/m0/s1
Affinity DataKi:  140nMAssay Description:Displacement of [3H]ketanserin from cloned human 5HT2A receptor in HEK298 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174004(CHEMBL197381 | N-((S)-1-(4-chlorobenzyl)pyrrolidin...)
Show SMILES Clc1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
Show InChI InChI=1S/C22H21ClN2OS/c23-19-8-6-16(7-9-19)14-25-11-10-20(15-25)24-22(26)18-4-1-3-17(13-18)21-5-2-12-27-21/h1-9,12-13,20H,10-11,14-15H2,(H,24,26)/t20-/m0/s1
Affinity DataKi:  230nMAssay Description:Displacement of [3H]spiperone from human dopamine D2(short) receptor in rat pituitary GH4C1 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50152303(CHEMBL361035 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-3-...)
Show SMILES O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(c1)-c1cccs1
Show InChI InChI=1S/C22H22N2OS/c25-22(19-9-4-8-18(14-19)21-10-5-13-26-21)23-20-11-12-24(16-20)15-17-6-2-1-3-7-17/h1-10,13-14,20H,11-12,15-16H2,(H,23,25)/t20-/m0/s1
Affinity DataKi:  460nMAssay Description:Displacement of [3H]ketanserin from cloned human 5HT2A receptor in HEK298 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174005(CHEMBL373032 | N-((S)-1-(4-(trifluoromethoxy)benzy...)
Show SMILES FC(F)(F)Oc1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
Show InChI InChI=1S/C23H21F3N2O2S/c24-23(25,26)30-20-8-6-16(7-9-20)14-28-11-10-19(15-28)27-22(29)18-4-1-3-17(13-18)21-5-2-12-31-21/h1-9,12-13,19H,10-11,14-15H2,(H,27,29)/t19-/m0/s1
Affinity DataKi:  500nMAssay Description:Displacement of [3H]spiperone from human dopamine D2(short) receptor in rat pituitary GH4C1 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174001(CHEMBL381019 | N-[(S)-1-(4-Methyl-benzyl)-pyrrolid...)
Show SMILES Cc1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
Show InChI InChI=1S/C23H24N2OS/c1-17-7-9-18(10-8-17)15-25-12-11-21(16-25)24-23(26)20-5-2-4-19(14-20)22-6-3-13-27-22/h2-10,13-14,21H,11-12,15-16H2,1H3,(H,24,26)/t21-/m0/s1
Affinity DataKi:  610nMAssay Description:Displacement of [3H]ketanserin from cloned human 5HT2A receptor in HEK298 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174002(CHEMBL370652 | N-((S)-1-(4-(trifluoromethyl)benzyl...)
Show SMILES FC(F)(F)c1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
Show InChI InChI=1S/C23H21F3N2OS/c24-23(25,26)19-8-6-16(7-9-19)14-28-11-10-20(15-28)27-22(29)18-4-1-3-17(13-18)21-5-2-12-30-21/h1-9,12-13,20H,10-11,14-15H2,(H,27,29)/t20-/m0/s1
Affinity DataKi:  740nMAssay Description:Displacement of [3H]ketanserin from cloned human 5HT2A receptor in HEK298 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50152314((S)-N-(1-benzylpyrrolidin-3-yl)-4-(thiophen-2-yl)b...)
Show SMILES O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H22N2OS/c25-22(19-10-8-18(9-11-19)21-7-4-14-26-21)23-20-12-13-24(16-20)15-17-5-2-1-3-6-17/h1-11,14,20H,12-13,15-16H2,(H,23,25)/t20-/m0/s1
Affinity DataKi:  980nMAssay Description:Displacement of [3H]spiperone from human dopamine D2(short) receptor in rat pituitary GH4C1 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174004(CHEMBL197381 | N-((S)-1-(4-chlorobenzyl)pyrrolidin...)
Show SMILES Clc1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
Show InChI InChI=1S/C22H21ClN2OS/c23-19-8-6-16(7-9-19)14-25-11-10-20(15-25)24-22(26)18-4-1-3-17(13-18)21-5-2-12-27-21/h1-9,12-13,20H,10-11,14-15H2,(H,24,26)/t20-/m0/s1
Affinity DataKi:  1.10E+3nMAssay Description:Displacement of [3H]ketanserin from cloned human 5HT2A receptor in HEK298 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174002(CHEMBL370652 | N-((S)-1-(4-(trifluoromethyl)benzyl...)
Show SMILES FC(F)(F)c1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
Show InChI InChI=1S/C23H21F3N2OS/c24-23(25,26)19-8-6-16(7-9-19)14-28-11-10-20(15-28)27-22(29)18-4-1-3-17(13-18)21-5-2-12-30-21/h1-9,12-13,20H,10-11,14-15H2,(H,27,29)/t20-/m0/s1
Affinity DataKi:  1.30E+3nMAssay Description:Displacement of [3H]spiperone from human dopamine D2(short) receptor in rat pituitary GH4C1 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174000((S)-N-(1-(4-fluorobenzyl)pyrrolidin-3-yl)-4-(thiop...)
Show SMILES Fc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1
Show InChI InChI=1S/C22H21FN2OS/c23-19-9-3-16(4-10-19)14-25-12-11-20(15-25)24-22(26)18-7-5-17(6-8-18)21-2-1-13-27-21/h1-10,13,20H,11-12,14-15H2,(H,24,26)/t20-/m0/s1
Affinity DataKi:  1.50E+3nMAssay Description:Displacement of [3H]spiperone from human dopamine D2(short) receptor in rat pituitary GH4C1 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174006((S)-N-(1-(benzo[d][1,3]dioxol-5-ylmethyl)pyrrolidi...)
Show SMILES O=C(N[C@H]1CCN(Cc2ccc3OCOc3c2)C1)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C23H22N2O3S/c26-23(18-6-4-17(5-7-18)22-2-1-11-29-22)24-19-9-10-25(14-19)13-16-3-8-20-21(12-16)28-15-27-20/h1-8,11-12,19H,9-10,13-15H2,(H,24,26)/t19-/m0/s1
Affinity DataKi:  1.80E+3nMAssay Description:Displacement of [3H]spiperone from human dopamine D2(short) receptor in rat pituitary GH4C1 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174003((S)-N-(1-(3-methoxybenzyl)pyrrolidin-3-yl)-4-(thio...)
Show SMILES COc1cccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)c1
Show InChI InChI=1S/C23H24N2O2S/c1-27-21-5-2-4-17(14-21)15-25-12-11-20(16-25)24-23(26)19-9-7-18(8-10-19)22-6-3-13-28-22/h2-10,13-14,20H,11-12,15-16H2,1H3,(H,24,26)/t20-/m0/s1
Affinity DataKi:  4.46E+3nMAssay Description:Displacement of [3H]spiperone from human dopamine D2(short) receptor in rat pituitary GH4C1 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174005(CHEMBL373032 | N-((S)-1-(4-(trifluoromethoxy)benzy...)
Show SMILES FC(F)(F)Oc1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
Show InChI InChI=1S/C23H21F3N2O2S/c24-23(25,26)30-20-8-6-16(7-9-20)14-28-11-10-19(15-28)27-22(29)18-4-1-3-17(13-18)21-5-2-12-31-21/h1-9,12-13,19H,10-11,14-15H2,(H,27,29)/t19-/m0/s1
Affinity DataKi:  5.60E+3nMAssay Description:Displacement of [3H]ketanserin from cloned human 5HT2A receptor in HEK298 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174008((S)-N-(1-(3,4-difluorobenzyl)pyrrolidin-3-yl)-4-(t...)
Show SMILES Fc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1F
Show InChI InChI=1S/C22H20F2N2OS/c23-19-8-3-15(12-20(19)24)13-26-10-9-18(14-26)25-22(27)17-6-4-16(5-7-17)21-2-1-11-28-21/h1-8,11-12,18H,9-10,13-14H2,(H,25,27)/t18-/m0/s1
Affinity DataKi:  1.80E+4nMAssay Description:Displacement of [3H]spiperone from human dopamine D2(short) receptor in rat pituitary GH4C1 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174010((S)-N-(1-(3,4-dichlorobenzyl)pyrrolidin-3-yl)-4-(t...)
Show SMILES Clc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)cc1Cl
Show InChI InChI=1S/C22H20Cl2N2OS/c23-19-8-3-15(12-20(19)24)13-26-10-9-18(14-26)25-22(27)17-6-4-16(5-7-17)21-2-1-11-28-21/h1-8,11-12,18H,9-10,13-14H2,(H,25,27)/t18-/m0/s1
Affinity DataKi:  2.90E+4nMAssay Description:Displacement of [3H]spiperone from human dopamine D2(short) receptor in rat pituitary GH4C1 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50174009((S)-N-(1-(2-fluorobenzyl)pyrrolidin-3-yl)-4-(thiop...)
Show SMILES Fc1ccccc1CN1CC[C@@H](C1)NC(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H21FN2OS/c23-20-5-2-1-4-18(20)14-25-12-11-19(15-25)24-22(26)17-9-7-16(8-10-17)21-6-3-13-27-21/h1-10,13,19H,11-12,14-15H2,(H,24,26)/t19-/m0/s1
Affinity DataKi:  3.80E+4nMAssay Description:Displacement of [3H]spiperone from human dopamine D2(short) receptor in rat pituitary GH4C1 cellsMore data for this Ligand-Target Pair