Compile Data Set for Download or QSAR
Found 5 Enz. Inhib. hit(s) with all data for entry = 50005248
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM21393(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
Affinity DataKi:  1.40nMAssay Description:Inhibitory affinity constant against 5-hydroxytryptamine 1A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50005127(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2
Affinity DataKi:  3.40nMAssay Description:Inhibitory affinity constant against 5-hydroxytryptamine 1A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Pharmaceutical Research Institute

Curated by ChEMBL
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 DataKi:  10nMAssay Description:Inhibitory affinity constant against 5-hydroxytryptamine 1A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Pharmaceutical Research Institute

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:  14nMAssay Description:Inhibitory affinity constant against 5-hydroxytryptamine 1A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Pharmaceutical Research Institute

Curated by ChEMBL
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 DataKi:  39nMAssay Description:Inhibitory affinity constant against 5-hydroxytryptamine 1A receptorMore data for this Ligand-Target Pair