Compile Data Set for Download or QSAR
Found 8 Enz. Inhib. hit(s) with all data for entry = 50009262
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081707(3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol-6-...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2cc(O)ccc12
Show InChI InChI=1S/C14H18N2O/c1-16-6-2-3-11(16)7-10-9-15-14-8-12(17)4-5-13(10)14/h4-5,8-9,11,15,17H,2-3,6-7H2,1H3/t11-/m1/s1
Affinity DataKi:  210nMAssay Description:Compound was tested for binding affinity using [3H]-MDL-100,907 at 5-hydroxytryptamine 2A receptor sites in rat cortical homogenate.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081701(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
Affinity DataKi:  390nMAssay Description:Compound was tested for binding affinity using [3H]-MDL-100,907 at 5-hydroxytryptamine 2A receptor sites in rat cortical homogenate.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081704(5-Methoxy-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1...)
Show SMILES COc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m1/s1
Affinity DataKi:  400nMAssay Description:Compound was tested for binding affinity using [3H]-MDL-100,907 at 5-hydroxytryptamine 2A receptor sites in rat cortical homogenate.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081705(3-(1-Methyl-pyrrolidin-3-yl)-1H-indol-4-ol | CHEMB...)
Show SMILES CN1CCC(C1)c1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C13H16N2O/c1-15-6-5-9(8-15)10-7-14-11-3-2-4-12(16)13(10)11/h2-4,7,9,14,16H,5-6,8H2,1H3
Affinity DataKi:  440nMAssay Description:Compound was tested for binding affinity using [3H]-MDL-100,907 at 5-hydroxytryptamine 2A receptor sites in rat cortical homogenate.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081706(5-Methoxy-3-(1-methyl-pyrrolidin-3-yl)-1H-indole |...)
Show SMILES COc1ccc2[nH]cc(C3CCN(C)C3)c2c1
Show InChI InChI=1S/C14H18N2O/c1-16-6-5-10(9-16)13-8-15-14-4-3-11(17-2)7-12(13)14/h3-4,7-8,10,15H,5-6,9H2,1-2H3
Affinity DataKi:  1.30E+3nMAssay Description:Compound was tested for binding affinity using [3H]-MDL-100,907 at 5-hydroxytryptamine 2A receptor sites in rat cortical homogenate.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Purdue University

Curated by ChEMBL
LigandPNGBDBM30707(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
Affinity DataKi:  1.60E+3nMAssay Description:Compound was tested for binding affinity using [3H]-MDL-100,907 at 5-hydroxytryptamine 2A receptor sites in rat cortical homogenate.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081703(3-((S)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol-6-...)
Show SMILES CN1CCC[C@H]1Cc1c[nH]c2cc(O)ccc12
Show InChI InChI=1S/C14H18N2O/c1-16-6-2-3-11(16)7-10-9-15-14-8-12(17)4-5-13(10)14/h4-5,8-9,11,15,17H,2-3,6-7H2,1H3/t11-/m0/s1
Affinity DataKi:  4.70E+3nMAssay Description:Compound was tested for binding affinity using [3H]-MDL-100,907 at 5-hydroxytryptamine 2A receptor sites in rat cortical homogenate.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081702(5-Methoxy-3-((S)-1-methyl-pyrrolidin-2-ylmethyl)-1...)
Show SMILES COc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1
Show InChI InChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m0/s1
Affinity DataKi: >9.40E+3nMAssay Description:Compound was tested for binding affinity using [3H]-MDL-100,907 at 5-hydroxytryptamine 2A receptor sites in rat cortical homogenate.More data for this Ligand-Target Pair