Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 497.6 BDBM21822

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

Found 6 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))	BDBM21822 (2-[(1S)-5-(3-{2-methoxy-4-[4-(propan-2-yloxy)-1,3-...) Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(OC(C)C)cs1 |r| Show InChI InChI=1S/C27H31NO6S/c1-17(2)34-25-16-35-27(28-25)20-7-10-23(24(14-20)31-3)33-12-4-11-32-21-8-9-22-18(13-21)5-6-19(22)15-26(29)30/h7-10,13-14,16-17,19H,4-6,11-12,15H2,1-3H3,(H,29,30)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	180	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))	BDBM21822 (2-[(1S)-5-(3-{2-methoxy-4-[4-(propan-2-yloxy)-1,3-...) Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(OC(C)C)cs1 |r| Show InChI InChI=1S/C27H31NO6S/c1-17(2)34-25-16-35-27(28-25)20-7-10-23(24(14-20)31-3)33-12-4-11-32-21-8-9-22-18(13-21)5-6-19(22)15-26(29)30/h7-10,13-14,16-17,19H,4-6,11-12,15H2,1-3H3,(H,29,30)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3	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 gamma (Homo sapiens (Human))	BDBM21822 (2-[(1S)-5-(3-{2-methoxy-4-[4-(propan-2-yloxy)-1,3-...) Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(OC(C)C)cs1 |r| Show InChI InChI=1S/C27H31NO6S/c1-17(2)34-25-16-35-27(28-25)20-7-10-23(24(14-20)31-3)33-12-4-11-32-21-8-9-22-18(13-21)5-6-19(22)15-26(29)30/h7-10,13-14,16-17,19H,4-6,11-12,15H2,1-3H3,(H,29,30)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	2.29E+7	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at Homo sapiens (human) PPARgamma expressed in mouse 3T3-L1 cells incubated for 2 days followed by compound wash out measured after ...				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))	BDBM21822 (2-[(1S)-5-(3-{2-methoxy-4-[4-(propan-2-yloxy)-1,3-...) Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(OC(C)C)cs1 |r| Show InChI InChI=1S/C27H31NO6S/c1-17(2)34-25-16-35-27(28-25)20-7-10-23(24(14-20)31-3)33-12-4-11-32-21-8-9-22-18(13-21)5-6-19(22)15-26(29)30/h7-10,13-14,16-17,19H,4-6,11-12,15H2,1-3H3,(H,29,30)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	3.33E+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 alpha (Homo sapiens (Human))	BDBM21822 (2-[(1S)-5-(3-{2-methoxy-4-[4-(propan-2-yloxy)-1,3-...) Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(OC(C)C)cs1 |r| Show InChI InChI=1S/C27H31NO6S/c1-17(2)34-25-16-35-27(28-25)20-7-10-23(24(14-20)31-3)33-12-4-11-32-21-8-9-22-18(13-21)5-6-19(22)15-26(29)30/h7-10,13-14,16-17,19H,4-6,11-12,15H2,1-3H3,(H,29,30)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	5.56E+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 gamma (Homo sapiens (Human))	BDBM21822 (2-[(1S)-5-(3-{2-methoxy-4-[4-(propan-2-yloxy)-1,3-...) Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(OC(C)C)cs1 |r| Show InChI InChI=1S/C27H31NO6S/c1-17(2)34-25-16-35-27(28-25)20-7-10-23(24(14-20)31-3)33-12-4-11-32-21-8-9-22-18(13-21)5-6-19(22)15-26(29)30/h7-10,13-14,16-17,19H,4-6,11-12,15H2,1-3H3,(H,29,30)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	44	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