Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 524.6 BDBM21810

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM21810 (2-[(1S)-5-(3-{4-[5-(dimethylcarbamoyl)-4-methyl-1,...) Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(=O)N(C)C |r| Show InChI InChI=1S/C28H32N2O6S/c1-17-26(28(33)30(2)3)37-27(29-17)20-8-11-23(24(15-20)34-4)36-13-5-12-35-21-9-10-22-18(14-21)6-7-19(22)16-25(31)32/h8-11,14-15,19H,5-7,12-13,16H2,1-4H3,(H,31,32)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	803	n/a	n/a	n/a	25
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...				J Med Chem 50: 984-1000 (2007) Article DOI: 10.1021/jm061299k BindingDB Entry DOI: 10.7270/Q2NK3C93
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM21810 (2-[(1S)-5-(3-{4-[5-(dimethylcarbamoyl)-4-methyl-1,...) Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(=O)N(C)C |r| Show InChI InChI=1S/C28H32N2O6S/c1-17-26(28(33)30(2)3)37-27(29-17)20-8-11-23(24(15-20)34-4)36-13-5-12-35-21-9-10-22-18(14-21)6-7-19(22)16-25(31)32/h8-11,14-15,19H,5-7,12-13,16H2,1-4H3,(H,31,32)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10	n/a	n/a	n/a	25
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...				J Med Chem 50: 984-1000 (2007) Article DOI: 10.1021/jm061299k BindingDB Entry DOI: 10.7270/Q2NK3C93
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM21810 (2-[(1S)-5-(3-{4-[5-(dimethylcarbamoyl)-4-methyl-1,...) Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(=O)N(C)C |r| Show InChI InChI=1S/C28H32N2O6S/c1-17-26(28(33)30(2)3)37-27(29-17)20-8-11-23(24(15-20)34-4)36-13-5-12-35-21-9-10-22-18(14-21)6-7-19(22)16-25(31)32/h8-11,14-15,19H,5-7,12-13,16H2,1-4H3,(H,31,32)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	1.25E+6	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at GST-tagged Homo sapiens (human) PPARalpha ligand binding domain after 2 hr by FRET assay				Citation and Details Article DOI: 10.1007/s00044-011-9599-z BindingDB Entry DOI: 10.7270/Q22J6FR8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM21810 (2-[(1S)-5-(3-{4-[5-(dimethylcarbamoyl)-4-methyl-1,...) Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(=O)N(C)C |r| Show InChI InChI=1S/C28H32N2O6S/c1-17-26(28(33)30(2)3)37-27(29-17)20-8-11-23(24(15-20)34-4)36-13-5-12-35-21-9-10-22-18(14-21)6-7-19(22)16-25(31)32/h8-11,14-15,19H,5-7,12-13,16H2,1-4H3,(H,31,32)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	4.76E+8	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay				Citation and Details Article DOI: 10.1007/s00044-011-9599-z BindingDB Entry DOI: 10.7270/Q22J6FR8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM21810 (2-[(1S)-5-(3-{4-[5-(dimethylcarbamoyl)-4-methyl-1,...) Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(=O)N(C)C |r| Show InChI InChI=1S/C28H32N2O6S/c1-17-26(28(33)30(2)3)37-27(29-17)20-8-11-23(24(15-20)34-4)36-13-5-12-35-21-9-10-22-18(14-21)6-7-19(22)16-25(31)32/h8-11,14-15,19H,5-7,12-13,16H2,1-4H3,(H,31,32)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	312	n/a	n/a	n/a	25
Bayer HealthCare Pharmaceuticals Corporation					Assay Description PPAR gamma activity was assessed by using the IRBA in mouse 3T3-L1 cells. This assay measures the ability of test compound to cause an increase in th...				J Med Chem 50: 984-1000 (2007) Article DOI: 10.1021/jm061299k BindingDB Entry DOI: 10.7270/Q2NK3C93
					More data for this Ligand-Target Pair