Compile Data Set for Download or QSAR
Found 8 Enz. Inhib. hit(s) with all data for entry = 2889
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
National Medicines Institute

LigandPNGBDBM25869(2-{4-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]but...)
Show SMILES CC1CN(CCN1CCCCN1C(=O)c2ccccc2C1=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H28N4O2/c1-19-18-29(24-13-12-20-8-2-5-11-23(20)27-24)17-16-28(19)14-6-7-15-30-25(31)21-9-3-4-10-22(21)26(30)32/h2-5,8-13,19H,6-7,14-18H2,1H3
Affinity DataIC50: 8nMpH: 7.7 T: 2°CAssay Description:Ligand binding experiments were conducted in assay tubes containing radioligand, membrane tissue, and test compounds. Incubations were terminated by ...More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
National Medicines Institute

LigandPNGBDBM25869(2-{4-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]but...)
Show SMILES CC1CN(CCN1CCCCN1C(=O)c2ccccc2C1=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H28N4O2/c1-19-18-29(24-13-12-20-8-2-5-11-23(20)27-24)17-16-28(19)14-6-7-15-30-25(31)21-9-3-4-10-22(21)26(30)32/h2-5,8-13,19H,6-7,14-18H2,1H3
Affinity DataIC50: 33nMpH: 7.7 T: 2°CAssay Description:Ligand binding experiments were conducted in assay tubes containing radioligand, membrane tissue, and test compounds. Incubations were terminated by ...More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
National Medicines Institute

LigandPNGBDBM25871(1-{4-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]but...)
Show SMILES CC1CN(CCN1CCCCN1C(=O)CCCC1=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H30N4O2/c1-18-17-26(21-12-11-19-7-2-3-8-20(19)24-21)16-15-25(18)13-4-5-14-27-22(28)9-6-10-23(27)29/h2-3,7-8,11-12,18H,4-6,9-10,13-17H2,1H3
Affinity DataIC50: 50nMpH: 7.7 T: 2°CAssay Description:Ligand binding experiments were conducted in assay tubes containing radioligand, membrane tissue, and test compounds. Incubations were terminated by ...More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
National Medicines Institute

LigandPNGBDBM25873(8-{4-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]but...)
Show SMILES CC1CN(CCN1CCCCN1C(=O)CC2(CCCC2)CC1=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C27H36N4O2/c1-21-20-30(24-11-10-22-8-2-3-9-23(22)28-24)17-16-29(21)14-6-7-15-31-25(32)18-27(19-26(31)33)12-4-5-13-27/h2-3,8-11,21H,4-7,12-20H2,1H3
Affinity DataIC50: 75nMpH: 7.7 T: 2°CAssay Description:Ligand binding experiments were conducted in assay tubes containing radioligand, membrane tissue, and test compounds. Incubations were terminated by ...More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
National Medicines Institute

LigandPNGBDBM25872(2-{3-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]pro...)
Show SMILES CC1CN(CCN1CCCN1C(=O)c2ccccc2C1=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C25H26N4O2/c1-18-17-28(23-12-11-19-7-2-5-10-22(19)26-23)16-15-27(18)13-6-14-29-24(30)20-8-3-4-9-21(20)25(29)31/h2-5,7-12,18H,6,13-17H2,1H3
Affinity DataIC50: 80nMpH: 7.7 T: 2°CAssay Description:Ligand binding experiments were conducted in assay tubes containing radioligand, membrane tissue, and test compounds. Incubations were terminated by ...More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
National Medicines Institute

LigandPNGBDBM25874(2-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-2,3-d...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ccc3ccccc3n2)C(=O)c2ccccc12
Show InChI InChI=1S/C25H26N4O2/c30-24-20-8-2-3-9-21(20)25(31)29(24)14-6-5-13-27-15-17-28(18-16-27)23-12-11-19-7-1-4-10-22(19)26-23/h1-4,7-12H,5-6,13-18H2
Affinity DataIC50: 95nMpH: 7.7 T: 2°CAssay Description:Ligand binding experiments were conducted in assay tubes containing radioligand, membrane tissue, and test compounds. Incubations were terminated by ...More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
National Medicines Institute

LigandPNGBDBM25875(8-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-8-aza...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H34N4O2/c31-24-19-26(11-3-4-12-26)20-25(32)30(24)14-6-5-13-28-15-17-29(18-16-28)23-10-9-21-7-1-2-8-22(21)27-23/h1-2,7-10H,3-6,11-20H2
Affinity DataIC50: 112nMpH: 7.7 T: 2°CAssay Description:Ligand binding experiments were conducted in assay tubes containing radioligand, membrane tissue, and test compounds. Incubations were terminated by ...More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
National Medicines Institute

LigandPNGBDBM25876(4,4-dimethyl-1-{4-[4-(quinolin-2-yl)piperazin-1-yl...)
Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ccc3ccccc3n2)C(=O)C1
Show InChI InChI=1S/C24H32N4O2/c1-24(2)17-22(29)28(23(30)18-24)12-6-5-11-26-13-15-27(16-14-26)21-10-9-19-7-3-4-8-20(19)25-21/h3-4,7-10H,5-6,11-18H2,1-2H3
Affinity DataIC50: 146nMpH: 7.7 T: 2°CAssay Description:Ligand binding experiments were conducted in assay tubes containing radioligand, membrane tissue, and test compounds. Incubations were terminated by ...More data for this Ligand-Target Pair