Compile Data Set for Download or QSAR
Found 81 Enz. Inhib. hit(s) with all data for entry = 50046812
TargetCytochrome P450 2C9(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132507(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
Affinity DataIC50: 3.00E+4nMAssay Description:Effective concentration against retinoic acid receptor alpha in COS-7 cells co-expressing DR5-tk-CAT reporterMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132507(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
Affinity DataIC50: 3.00E+4nMAssay Description:Effective concentration against retinoic acid receptor gamma in COS-7 cells co-expressing DR5-tk-CAT reporterMore data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132507(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
Affinity DataIC50: 3.00E+4nMAssay Description:Effective concentration against retinoic acid receptor beta in COS-7 cells co-expressing DR5-tk-CAT reporterMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132507(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
Affinity DataIC50: 3.00E+4nMAssay Description:Effective concentration against retinoic acid receptor gamma in COS-7 cells co-expressing DR5-tk-CAT reporterMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132507(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
Affinity DataEC50:  360nMAssay Description:Effective concentration against retinoic acid receptor alpha in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (5.6-59.1)More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132508(CHEMBL3633951)
Show SMILES O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccccc1
Show InChI InChI=1S/C20H19N3O2/c24-20(16-8-3-1-4-9-16)22-12-7-13-23-19(22)14-17(21-23)15-25-18-10-5-2-6-11-18/h1-6,8-11,14H,7,12-13,15H2
Affinity DataEC50:  617nMAssay Description:Effective concentration against retinoic acid receptor beta in COS-7 cells co-expressing DR5-tk-CAT reporterMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132509(CHEMBL3633950)
Show SMILES O=C(Cc1ccccc1)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C21H21N3O2/c25-21(14-17-8-3-1-4-9-17)23-12-7-13-24-20(23)15-18(22-24)16-26-19-10-5-2-6-11-19/h1-6,8-11,15H,7,12-14,16H2
Affinity DataEC50:  372nMAssay Description:Effective concentration against retinoic acid receptor beta in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (7.5-41.1)More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132510(CHEMBL3633949)
Show SMILES O=C(C1CCCC1)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C19H23N3O2/c23-19(15-7-4-5-8-15)21-11-6-12-22-18(21)13-16(20-22)14-24-17-9-2-1-3-10-17/h1-3,9-10,13,15H,4-8,11-12,14H2
Affinity DataEC50:  1.74E+3nMAssay Description:Effective concentration against retinoic acid receptor alpha in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (0.1-0.4)More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132511(CHEMBL3633948)
Show SMILES O=C(C1CCC1)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C18H21N3O2/c22-18(14-6-4-7-14)20-10-5-11-21-17(20)12-15(19-21)13-23-16-8-2-1-3-9-16/h1-3,8-9,12,14H,4-7,10-11,13H2
Affinity DataEC50:  1.23E+3nMAssay Description:Effective concentration against retinoic acid receptor gamma in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (0.8-2.4)More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132512(CHEMBL3633947)
Show SMILES O=C(C1CC1)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C17H19N3O2/c21-17(13-7-8-13)19-9-4-10-20-16(19)11-14(18-20)12-22-15-5-2-1-3-6-15/h1-3,5-6,11,13H,4,7-10,12H2
Affinity DataEC50:  525nMAssay Description:Effective concentration against retinoic acid receptor beta in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (3.9-7.2)More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132518(CHEMBL3633946)
Show SMILES CC(C)(C)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C18H23N3O2/c1-18(2,3)17(22)20-10-7-11-21-16(20)12-14(19-21)13-23-15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11,13H2,1-3H3
Affinity DataEC50:  891nMAssay Description:Effective concentration against retinoic acid receptor beta in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (0.1-0.3)More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132519(CHEMBL3633945)
Show SMILES CC(C)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C17H21N3O2/c1-13(2)17(21)19-9-6-10-20-16(19)11-14(18-20)12-22-15-7-4-3-5-8-15/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3
Affinity DataEC50:  1.70E+3nMAssay Description:Effective concentration against retinoic acid receptor alpha in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (13.9-29.7)More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132520(CHEMBL3633944)
Show SMILES CCC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C16H19N3O2/c1-2-16(20)18-9-6-10-19-15(18)11-13(17-19)12-21-14-7-4-3-5-8-14/h3-5,7-8,11H,2,6,9-10,12H2,1H3
Affinity DataEC50:  331nMAssay Description:Effective concentration against retinoic acid receptor alpha in COS-7 cells co-expressing DR5-tk-CAT reporterMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132507(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
Affinity DataEC50:  363nMAssay Description:Effective concentration against retinoic acid receptor beta in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (6.1-9.8)More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132507(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
Affinity DataEC50:  60nMAssay Description:Effective concentration against retinoic acid receptor gamma in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (0.6-1.5)More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132507(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
Affinity DataEC50: >1.00E+4nMAssay Description:Effective concentration against retinoic acid receptor gamma in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (0.1-0.5)More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 2(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132507(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
Affinity DataEC50: >1.00E+4nMAssay Description:Effective concentration against retinoic acid receptor gamma in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (0.1-0.3)More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 3(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132507(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
Affinity DataEC50: >1.00E+4nMAssay Description:In vitro binding affinity for PPAR-alphaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 4(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132507(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
Affinity DataEC50: >1.00E+4nMAssay Description:In vitro binding affinity for PPAR-alphaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 6(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132507(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
Affinity DataEC50: >1.00E+4nMAssay Description:In vitro binding affinity for PPAR-alphaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 7(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132507(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
Affinity DataEC50: >1.00E+4nMAssay Description:In vitro binding affinity for PPAR-gammaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 8(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132507(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
Affinity DataEC50: >1.00E+4nMAssay Description:Effective concentration against human PPAR-alpha in Gal4 transactivation assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132543(CHEMBL3633971)
Show SMILES CC(=O)N1CCCn2nc(CNc3ccccc3)cc12
Show InChI InChI=1S/C15H18N4O/c1-12(20)18-8-5-9-19-15(18)10-14(17-19)11-16-13-6-3-2-4-7-13/h2-4,6-7,10,16H,5,8-9,11H2,1H3
Affinity DataEC50: >1.00E+4nMAssay Description:In vitro binding affinity for PPAR-alphaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132545(CHEMBL3633972)
Show SMILES CN(Cc1cc2N(CCCn2n1)C(C)=O)c1ccccc1
Show InChI InChI=1S/C16H20N4O/c1-13(21)19-9-6-10-20-16(19)11-14(17-20)12-18(2)15-7-4-3-5-8-15/h3-5,7-8,11H,6,9-10,12H2,1-2H3
Affinity DataEC50:  700nMAssay Description:Effective concentration against hamster PPAR-alpha in Gal4 transactivation assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132546(CHEMBL3633975)
Show SMILES CC(=O)N1CCCn2nc(CN3CCCc4ccccc34)cc12
Show InChI InChI=1S/C18H22N4O/c1-14(23)21-10-5-11-22-18(21)12-16(19-22)13-20-9-4-7-15-6-2-3-8-17(15)20/h2-3,6,8,12H,4-5,7,9-11,13H2,1H3
Affinity DataEC50: >1.00E+4nMAssay Description:In vitro binding affinity for PPAR-alphaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132548(CHEMBL3633976)
Show SMILES CC(=O)N1CCCn2nc(CN3CCOc4ccccc34)cc12
Show InChI InChI=1S/C17H20N4O2/c1-13(22)20-7-4-8-21-17(20)11-14(18-21)12-19-9-10-23-16-6-3-2-5-15(16)19/h2-3,5-6,11H,4,7-10,12H2,1H3
Affinity DataEC50:  725nMAssay Description:In vitro binding affinity for PPAR-gammaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132549(CHEMBL3633963)
Show SMILES CC(=O)N1CCCn2nc(COc3ccc(F)cc3)cc12
Show InChI InChI=1S/C15H16FN3O2/c1-11(20)18-7-2-8-19-15(18)9-13(17-19)10-21-14-5-3-12(16)4-6-14/h3-6,9H,2,7-8,10H2,1H3
Affinity DataEC50: >1.00E+4nMAssay Description:In vitro binding affinity for PPAR-gammaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132552(CHEMBL3633962)
Show SMILES CC(=O)N1CCCn2nc(COc3cccc(F)c3)cc12
Show InChI InChI=1S/C15H16FN3O2/c1-11(20)18-6-3-7-19-15(18)9-13(17-19)10-21-14-5-2-4-12(16)8-14/h2,4-5,8-9H,3,6-7,10H2,1H3
Affinity DataEC50:  266nMAssay Description:Effective concentration against hamster PPAR-alpha in Gal4 transactivation assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132553(CHEMBL3633961)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3F)cc12
Show InChI InChI=1S/C15H16FN3O2/c1-11(20)18-7-4-8-19-15(18)9-12(17-19)10-21-14-6-3-2-5-13(14)16/h2-3,5-6,9H,4,7-8,10H2,1H3
Affinity DataEC50:  2.37E+3nMAssay Description:Effective concentration against human PPAR-alpha in Gal4 transactivation assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132555(CHEMBL3633960)
Show SMILES O=C(N1CCCn2nc(COc3ccccc3)cc12)c1nccs1
Show InChI InChI=1S/C17H16N4O2S/c22-17(16-18-7-10-24-16)20-8-4-9-21-15(20)11-13(19-21)12-23-14-5-2-1-3-6-14/h1-3,5-7,10-11H,4,8-9,12H2
Affinity DataEC50:  257nMAssay Description:Effective concentration against human PPAR-alpha in Gal4 transactivation assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132557(CHEMBL3633959)
Show SMILES O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccno1
Show InChI InChI=1S/C17H16N4O3/c22-17(15-7-8-18-24-15)20-9-4-10-21-16(20)11-13(19-21)12-23-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12H2
Affinity DataEC50:  2.78E+3nMAssay Description:In vitro binding affinity for PPAR-alphaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132559(CHEMBL3633957)
Show SMILES O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccncc1
Show InChI InChI=1S/C19H18N4O2/c24-19(15-7-9-20-10-8-15)22-11-4-12-23-18(22)13-16(21-23)14-25-17-5-2-1-3-6-17/h1-3,5-10,13H,4,11-12,14H2
Affinity DataEC50: >1.00E+4nMAssay Description:In vitro binding affinity for PPAR-gammaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132562(CHEMBL3633956)
Show SMILES O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccccn1
Show InChI InChI=1S/C19H18N4O2/c24-19(17-9-4-5-10-20-17)22-11-6-12-23-18(22)13-15(21-23)14-25-16-7-2-1-3-8-16/h1-5,7-10,13H,6,11-12,14H2
Affinity DataEC50: >1.00E+4nMAssay Description:Effective concentration against human PPAR-gamma in Gal4 transactivation assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132586(CHEMBL3633955)
Show SMILES Clc1ccc(cc1)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C20H18ClN3O2/c21-16-9-7-15(8-10-16)20(25)23-11-4-12-24-19(23)13-17(22-24)14-26-18-5-2-1-3-6-18/h1-3,5-10,13H,4,11-12,14H2
Affinity DataEC50:  390nMAssay Description:In vitro binding affinity for PPAR-gammaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132587(CHEMBL3633954)
Show SMILES Fc1ccc(cc1)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C20H18FN3O2/c21-16-9-7-15(8-10-16)20(25)23-11-4-12-24-19(23)13-17(22-24)14-26-18-5-2-1-3-6-18/h1-3,5-10,13H,4,11-12,14H2
Affinity DataEC50:  596nMAssay Description:In vitro binding affinity for PPAR-alphaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132588(CHEMBL3633953)
Show SMILES Fc1cccc(c1)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C20H18FN3O2/c21-16-7-4-6-15(12-16)20(25)23-10-5-11-24-19(23)13-17(22-24)14-26-18-8-2-1-3-9-18/h1-4,6-9,12-13H,5,10-11,14H2
Affinity DataEC50:  591nMAssay Description:Effective concentration against hamster PPAR-alpha in Gal4 transactivation assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132589(CHEMBL3633952)
Show SMILES Fc1ccccc1C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C20H18FN3O2/c21-18-10-5-4-9-17(18)20(25)23-11-6-12-24-19(23)13-15(22-24)14-26-16-7-2-1-3-8-16/h1-5,7-10,13H,6,11-12,14H2
Affinity DataEC50:  1.13E+3nMAssay Description:In vitro binding affinity for PPAR-alphaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132508(CHEMBL3633951)
Show SMILES O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccccc1
Show InChI InChI=1S/C20H19N3O2/c24-20(16-8-3-1-4-9-16)22-12-7-13-23-19(22)14-17(21-23)15-25-18-10-5-2-6-11-18/h1-6,8-11,14H,7,12-13,15H2
Affinity DataEC50:  610nMAssay Description:In vitro binding affinity for PPAR-alphaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132509(CHEMBL3633950)
Show SMILES O=C(Cc1ccccc1)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C21H21N3O2/c25-21(14-17-8-3-1-4-9-17)23-12-7-13-24-20(23)15-18(22-24)16-26-19-10-5-2-6-11-19/h1-6,8-11,15H,7,12-14,16H2
Affinity DataEC50:  378nMAssay Description:Effective concentration against human PPAR-gamma in Gal4 transactivation assay; 25% response at 3 uMMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132510(CHEMBL3633949)
Show SMILES O=C(C1CCCC1)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C19H23N3O2/c23-19(15-7-4-5-8-15)21-11-6-12-22-18(21)13-16(20-22)14-24-17-9-2-1-3-10-17/h1-3,9-10,13,15H,4-8,11-12,14H2
Affinity DataEC50:  1.75E+3nMAssay Description:In vitro binding affinity for PPAR-gammaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132511(CHEMBL3633948)
Show SMILES O=C(C1CCC1)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C18H21N3O2/c22-18(14-6-4-7-14)20-10-5-11-21-17(20)12-15(19-21)13-23-16-8-2-1-3-9-16/h1-3,8-9,12,14H,4-7,10-11,13H2
Affinity DataEC50:  1.22E+3nMAssay Description:Effective concentration against hamster PPAR-alpha in Gal4 transactivation assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132512(CHEMBL3633947)
Show SMILES O=C(C1CC1)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C17H19N3O2/c21-17(13-7-8-13)19-9-4-10-20-16(19)11-14(18-20)12-22-15-5-2-1-3-6-15/h1-3,5-6,11,13H,4,7-10,12H2
Affinity DataEC50:  559nMAssay Description:In vitro binding affinity for PPAR-alphaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132518(CHEMBL3633946)
Show SMILES CC(C)(C)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C18H23N3O2/c1-18(2,3)17(22)20-10-7-11-21-16(20)12-14(19-21)13-23-15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11,13H2,1-3H3
Affinity DataEC50:  882nMAssay Description:In vitro binding affinity for PPAR-alphaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132519(CHEMBL3633945)
Show SMILES CC(C)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C17H21N3O2/c1-13(2)17(21)19-9-6-10-20-16(19)11-14(18-20)12-22-15-7-4-3-5-8-15/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3
Affinity DataEC50:  1.71E+3nMAssay Description:In vitro binding affinity for PPAR-alphaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132520(CHEMBL3633944)
Show SMILES CCC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C16H19N3O2/c1-2-16(20)18-9-6-10-19-15(18)11-13(17-19)12-21-14-7-4-3-5-8-14/h3-5,7-8,11H,2,6,9-10,12H2,1H3
Affinity DataEC50:  332nMAssay Description:In vitro binding affinity for PPAR-alphaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132507(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
Affinity DataEC50:  360nMAssay Description:In vitro binding affinity for PPAR-alphaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132590(CHEMBL3634192)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)c(F)c12
Show InChI InChI=1S/C15H16FN3O2/c1-11(20)18-8-5-9-19-15(18)14(16)13(17-19)10-21-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3
Affinity DataEC50:  3.24E+3nMAssay Description:Effective concentration against hamster PPAR-alpha in Gal4 transactivation assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132591(CHEMBL3634191)
Show SMILES CC(=O)N1CCCc2nc(COc3ccccc3)oc12
Show InChI InChI=1S/C15H16N2O3/c1-11(18)17-9-5-8-13-15(17)20-14(16-13)10-19-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3
Affinity DataEC50:  1.35E+3nMAssay Description:In vitro binding affinity for PPAR-alphaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132598(CHEMBL3634190)
Show SMILES CC(=O)N1CCCc2nc(COc3ccccc3)sc12
Show InChI InChI=1S/C15H16N2O2S/c1-11(18)17-9-5-8-13-15(17)20-14(16-13)10-19-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3
Affinity DataEC50:  888nMAssay Description:In vitro binding affinity for PPAR-alphaMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50132601(CHEMBL3634189)
Show SMILES CC(=O)N1CCCc2nc(COc3ccccc3)cn12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-9-5-8-15-16-13(10-18(15)17)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
Affinity DataEC50:  780nMAssay Description:In vitro binding affinity for PPAR-gammaMore data for this Ligand-Target Pair
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