Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 545.6 BDBM50471981

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 gamma (Homo sapiens (Human))	BDBM50471981 (CHEMBL446629) Show SMILES Cn1cc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C34H31N3O4/c1-37-23-31(25-10-4-2-5-11-25)36-32(37)20-21-41-27-18-16-24(17-19-27)22-30(34(39)40)35-29-15-9-8-14-28(29)33(38)26-12-6-3-7-13-26/h2-19,23,30,35H,20-22H2,1H3,(H,39,40)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.692	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition by 50% of in vitro binding to Peroxisome proliferator activated receptor gamma				J Med Chem 41: 5037-54 (1998) Article DOI: 10.1021/jm980413z BindingDB Entry DOI: 10.7270/Q2J38W9F
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50471981 (CHEMBL446629) Show SMILES Cn1cc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C34H31N3O4/c1-37-23-31(25-10-4-2-5-11-25)36-32(37)20-21-41-27-18-16-24(17-19-27)22-30(34(39)40)35-29-15-9-8-14-28(29)33(38)26-12-6-3-7-13-26/h2-19,23,30,35H,20-22H2,1H3,(H,39,40)/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Tested in vitro for inhibiting the 50% binding of Peroxisome proliferator activated receptor alpha				J Med Chem 41: 5037-54 (1998) Article DOI: 10.1021/jm980413z BindingDB Entry DOI: 10.7270/Q2J38W9F
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50471981 (CHEMBL446629) Show SMILES Cn1cc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C34H31N3O4/c1-37-23-31(25-10-4-2-5-11-25)36-32(37)20-21-41-27-18-16-24(17-19-27)22-30(34(39)40)35-29-15-9-8-14-28(29)33(38)26-12-6-3-7-13-26/h2-19,23,30,35H,20-22H2,1H3,(H,39,40)/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro transactivation of Peroxisome proliferator activated receptor alpha.				J Med Chem 41: 5037-54 (1998) Article DOI: 10.1021/jm980413z BindingDB Entry DOI: 10.7270/Q2J38W9F
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50471981 (CHEMBL446629) Show SMILES Cn1cc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C34H31N3O4/c1-37-23-31(25-10-4-2-5-11-25)36-32(37)20-21-41-27-18-16-24(17-19-27)22-30(34(39)40)35-29-15-9-8-14-28(29)33(38)26-12-6-3-7-13-26/h2-19,23,30,35H,20-22H2,1H3,(H,39,40)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Ability to promote differentiation of C3H10T1/2 stem cells to adipocytes using lipogenesis assay mediated through activation of Peroxisome proliferat...				J Med Chem 41: 5037-54 (1998) Article DOI: 10.1021/jm980413z BindingDB Entry DOI: 10.7270/Q2J38W9F
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50471981 (CHEMBL446629) Show SMILES Cn1cc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C34H31N3O4/c1-37-23-31(25-10-4-2-5-11-25)36-32(37)20-21-41-27-18-16-24(17-19-27)22-30(34(39)40)35-29-15-9-8-14-28(29)33(38)26-12-6-3-7-13-26/h2-19,23,30,35H,20-22H2,1H3,(H,39,40)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.30	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Tested functionally in vitro for inducing 50% of the maximum alkaline phosphate activity (Transactivation) against Peroxisome proliferator activated ...				J Med Chem 41: 5037-54 (1998) Article DOI: 10.1021/jm980413z BindingDB Entry DOI: 10.7270/Q2J38W9F
					More data for this Ligand-Target Pair