Compile Data Set for Download or QSAR
Found 6 Enz. Inhib. hit(s) with all data for entry = 50042850
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM35254(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
Affinity DataKi:  4nMAssay Description:Displacement of [3H]ketanserin from 5-HT2A receptor in human frontal cortex after 30 mins by scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM35254(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
Affinity DataKi:  11nMAssay Description:Displacement of [3H]mesulergine from 5-HT2C receptor in human frontal cortex after 30 mins by scintillation countingMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM35254(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
Affinity DataKi:  11nMAssay Description:Displacement of [3H]raclopride from D2 receptor in human corpus striatum after 30 mins by scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM35254(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
Affinity DataIC50: 7nMAssay Description:Displacement of [3H]ketanserin from 5-HT2A receptor in human frontal cortex after 30 mins by scintillation countingMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM35254(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
Affinity DataIC50: 10nMAssay Description:Displacement of [3H]raclopride from D2 receptor in human corpus striatum after 30 mins by scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM35254(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
Affinity DataIC50: 71nMAssay Description:Displacement of [3H]mesulergine from 5-HT2C receptor in human frontal cortex after 30 mins by scintillation countingMore data for this Ligand-Target Pair