Compile Data Set for Download or QSAR
Found 17 Enz. Inhib. hit(s) with all data for entry = 50048472
Target5-hydroxytryptamine receptor 1D(RAT)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50217230(CHEMBL95387)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3cccc(Cl)c3Cl)c2c1
Show InChI InChI=1S/C20H19Cl2NO4/c1-10(24)11-7-8-15-13(9-11)17(18(25)20(2,3)27-15)23-19(26)12-5-4-6-14(21)16(12)22/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18+/m0/s1
Affinity DataKi:  10nMAssay Description:Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(RAT)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50217225(CHEMBL98434)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C20H20ClNO4/c1-11(23)12-7-8-16-15(10-12)17(18(24)20(2,3)26-16)22-19(25)13-5-4-6-14(21)9-13/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18+/m0/s1
Affinity DataKi:  10nMAssay Description:Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(RAT)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50217226(CHEMBL318906)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](NC(=O)c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C20H20ClNO4/c1-11(23)12-7-8-16-15(10-12)17(18(24)20(2,3)26-16)22-19(25)13-5-4-6-14(21)9-13/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18-/m0/s1
Affinity DataKi:  13nMAssay Description:Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(RAT)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50217210(CHEMBL38918)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C20H19ClFNO4/c1-10(24)11-5-7-16-13(8-11)17(18(25)20(2,3)27-16)23-19(26)12-4-6-15(22)14(21)9-12/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18+/m0/s1
Affinity DataKi:  13nMAssay Description:Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(RAT)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50217182(CHEMBL318882)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3ccsc3Cl)c2c1
Show InChI InChI=1S/C18H18ClNO4S/c1-9(21)10-4-5-13-12(8-10)14(15(22)18(2,3)24-13)20-17(23)11-6-7-25-16(11)19/h4-8,14-15,22H,1-3H3,(H,20,23)/t14-,15+/m0/s1
Affinity DataKi:  16nMAssay Description:Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(RAT)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50217211(CHEMBL318022)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](NC(=O)c3cccc(Cl)c3Cl)c2c1
Show InChI InChI=1S/C20H19Cl2NO4/c1-10(24)11-7-8-15-13(9-11)17(18(25)20(2,3)27-15)23-19(26)12-5-4-6-14(21)16(12)22/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18-/m0/s1
Affinity DataKi:  16nMAssay Description:Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(RAT)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50217231(CHEMBL98433)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3ccccc3Cl)c2c1
Show InChI InChI=1S/C20H20ClNO4/c1-11(23)12-8-9-16-14(10-12)17(18(24)20(2,3)26-16)22-19(25)13-6-4-5-7-15(13)21/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18+/m0/s1
Affinity DataKi:  20nMAssay Description:Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(RAT)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50217178(CHEMBL99341)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3Cl)c2c1
Show InChI InChI=1S/C20H18Cl3NO4/c1-9(25)10-4-5-15-12(6-10)17(18(26)20(2,3)28-15)24-19(27)13-7-11(21)8-14(22)16(13)23/h4-8,17-18,26H,1-3H3,(H,24,27)/t17-,18+/m0/s1
Affinity DataKi:  32nMAssay Description:Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(RAT)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50217229(CHEMBL317732)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3ccc(F)cc3Cl)c2c1
Show InChI InChI=1S/C20H19ClFNO4/c1-10(24)11-4-7-16-14(8-11)17(18(25)20(2,3)27-16)23-19(26)13-6-5-12(22)9-15(13)21/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18+/m0/s1
Affinity DataKi:  32nMAssay Description:Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(RAT)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50217183(CHEMBL316885)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](NC(=O)c3ccccc3Cl)c2c1
Show InChI InChI=1S/C20H20ClNO4/c1-11(23)12-8-9-16-14(10-12)17(18(24)20(2,3)26-16)22-19(25)13-6-4-5-7-15(13)21/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18-/m0/s1
Affinity DataKi:  32nMAssay Description:Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(RAT)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50217180(CHEMBL98388)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](NC(=O)c3ccc(F)cc3)c2c1
Show InChI InChI=1S/C20H20FNO4/c1-11(23)13-6-9-16-15(10-13)17(18(24)20(2,3)26-16)22-19(25)12-4-7-14(21)8-5-12/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18-/m0/s1
Affinity DataKi:  79nMAssay Description:Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(RAT)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50217228(CHEMBL98195)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3ccsc3)c2c1
Show InChI InChI=1S/C18H19NO4S/c1-10(20)11-4-5-14-13(8-11)15(16(21)18(2,3)23-14)19-17(22)12-6-7-24-9-12/h4-9,15-16,21H,1-3H3,(H,19,22)/t15-,16+/m0/s1
Affinity DataKi:  158nMAssay Description:Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(RAT)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50217181(CHEMBL99584)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3cccnc3)c2c1
Show InChI InChI=1S/C19H20N2O4/c1-11(22)12-6-7-15-14(9-12)16(17(23)19(2,3)25-15)21-18(24)13-5-4-8-20-10-13/h4-10,16-17,23H,1-3H3,(H,21,24)/t16-,17+/m0/s1
Affinity DataKi:  316nMAssay Description:Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(RAT)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50217179(CHEMBL95250)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3c(Cl)cccc3Cl)c2c1
Show InChI InChI=1S/C20H19Cl2NO4/c1-10(24)11-7-8-15-12(9-11)17(18(25)20(2,3)27-15)23-19(26)16-13(21)5-4-6-14(16)22/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18+/m0/s1
Affinity DataKi:  5.01E+3nMAssay Description:Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(RAT)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50217212(CHEMBL100521)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@H](NC(=O)c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C20H20ClNO4/c1-11(23)12-7-8-16-15(10-12)17(18(24)20(2,3)26-16)22-19(25)13-5-4-6-14(21)9-13/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18+/m1/s1
Affinity DataKi: <6.31E+3nMAssay Description:Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(RAT)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50217184(CHEMBL433377)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3cnccn3)c2c1
Show InChI InChI=1S/C18H19N3O4/c1-10(22)11-4-5-14-12(8-11)15(16(23)18(2,3)25-14)21-17(24)13-9-19-6-7-20-13/h4-9,15-16,23H,1-3H3,(H,21,24)/t15-,16+/m0/s1
Affinity DataKi:  1.58E+4nMAssay Description:Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(RAT)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50217227(CHEMBL98214)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@H](NC(=O)c3ccc(F)cc3)c2c1
Show InChI InChI=1S/C20H20FNO4/c1-11(23)13-6-9-16-15(10-13)17(18(24)20(2,3)26-16)22-19(25)12-4-7-14(21)8-5-12/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18+/m1/s1
Affinity DataKi: <3.16E+4nMAssay Description:Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.More data for this Ligand-Target Pair