Compile Data Set for Download or QSAR
Found 10 Enz. Inhib. hit(s) with all data for entry = 50006582
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Polish Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM82517(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
Affinity DataKi:  0.600nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippocampus) using [3H]-8-OH-DPATMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Polish Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50051165(8-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-8-az...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C22H30N2O2/c25-20-15-22(10-3-4-11-22)16-21(26)24(20)13-6-5-12-23-14-9-18-7-1-2-8-19(18)17-23/h1-2,7-8H,3-6,9-17H2
Affinity DataKi:  5nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippocampus) using [3H]-8-OH-DPATMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Polish Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50051166(1-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyrr...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CCC2=O)CC1
Show InChI InChI=1S/C19H27N3O3/c1-25-17-7-3-2-6-16(17)21-14-12-20(13-15-21)10-4-5-11-22-18(23)8-9-19(22)24/h2-3,6-7H,4-5,8-15H2,1H3
Affinity DataKi:  6.40nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippocampus) using [3H]-8-OH-DPATMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Polish Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50026917(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
Affinity DataKi:  8.20nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippocampus) using [3H]-8-OH-DPATMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Polish Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50001859((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
Affinity DataKi:  12.3nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippocampus) using [3H]-8-OH-DPATMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Polish Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50051164(2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-isoi...)
Show SMILES O=C1N(CCCCN2CCc3ccccc3C2)C(=O)c2ccccc12
Show InChI InChI=1S/C21H22N2O2/c24-20-18-9-3-4-10-19(18)21(25)23(20)13-6-5-12-22-14-11-16-7-1-2-8-17(16)15-22/h1-4,7-10H,5-6,11-15H2
Affinity DataKi:  140nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippocampus) using [3H]-8-OH-DPATMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Polish Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50051168(8-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethyl]-8-az...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCN1CCc2ccccc2C1
Show InChI InChI=1S/C20H26N2O2/c23-18-13-20(8-3-4-9-20)14-19(24)22(18)12-11-21-10-7-16-5-1-2-6-17(16)15-21/h1-2,5-6H,3-4,7-15H2
Affinity DataKi:  1.33E+3nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippocampus) using [3H]-8-OH-DPATMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Polish Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50051167(1-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-pyrr...)
Show SMILES O=C1CCC(=O)N1CCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C17H22N2O2/c20-16-7-8-17(21)19(16)11-4-3-10-18-12-9-14-5-1-2-6-15(14)13-18/h1-2,5-6H,3-4,7-13H2
Affinity DataKi:  2.92E+3nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippocampus) using [3H]-8-OH-DPATMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Polish Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50051163(2-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethyl]-isoi...)
Show SMILES O=C1N(CCN2CCc3ccccc3C2)C(=O)c2ccccc12
Show InChI InChI=1S/C19H18N2O2/c22-18-16-7-3-4-8-17(16)19(23)21(18)12-11-20-10-9-14-5-1-2-6-15(14)13-20/h1-8H,9-13H2
Affinity DataKi:  4.13E+4nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippocampus) using [3H]-8-OH-DPATMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Polish Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | CHEMBL14346 | THI...)
Show SMILES C1Cc2ccccc2CN1
Show InChI InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
Affinity DataKi: >5.00E+4nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippocampus) using [3H]-8-OH-DPATMore data for this Ligand-Target Pair