Compile Data Set for Download or QSAR
Found 4 Enz. Inhib. hit(s) with all data for entry = 50041369
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Institute for Biological Research

Curated by ChEMBL
LigandPNGBDBM50409937(CHEMBL184770)
Show SMILES Cc1cccc(N2CCN(CCc3ccc4nn[nH]c4c3)CC2)c1C
Show InChI InChI=1S/C20H25N5/c1-15-4-3-5-20(16(15)2)25-12-10-24(11-13-25)9-8-17-6-7-18-19(14-17)22-23-21-18/h3-7,14H,8-13H2,1-2H3,(H,21,22,23)
Affinity DataIC50: 260nMAssay Description:Inhibitory concentration against reuptake of 5-HT from rat synaptosomesMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Institute for Biological Research

Curated by ChEMBL
LigandPNGBDBM50409936(CHEMBL182721)
Show SMILES C(Cc1ccc2NCNc2c1)N1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H26N4/c1-2-6-20-19(4-1)5-3-7-23(20)27-14-12-26(13-15-27)11-10-18-8-9-21-22(16-18)25-17-24-21/h1-9,16,24-25H,10-15,17H2
Affinity DataIC50: 1.76E+3nMAssay Description:Inhibitory concentration against reuptake of 5-HT from rat synaptosomesMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Institute for Biological Research

Curated by ChEMBL
LigandPNGBDBM50409935(CHEMBL363124)
Show SMILES C(Cc1ccc2nn[nH]c2c1)N1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C22H23N5/c1-2-6-19-18(4-1)5-3-7-22(19)27-14-12-26(13-15-27)11-10-17-8-9-20-21(16-17)24-25-23-20/h1-9,16H,10-15H2,(H,23,24,25)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory concentration against reuptake of 5-HT from rat synaptosomesMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Institute for Biological Research

Curated by ChEMBL
LigandPNGBDBM50001884(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory concentration against reuptake of 5-HT from rat synaptosomesMore data for this Ligand-Target Pair