Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 652.5 BDBM50106109

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

Found 3 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 delta (Homo sapiens (Human))	BDBM50106109 (4-Isocyanato-benzoic acid 2-((2,4-bis-trifluoromet...) Show SMILES CC(C)(Oc1cccc(CCCN(CCOC(=O)c2ccc(cc2)N=C=O)Cc2ccc(cc2C(F)(F)F)C(F)(F)F)c1)C(O)=O Show InChI InChI=1S/C32H30F6N2O6/c1-30(2,29(43)44)46-26-7-3-5-21(17-26)6-4-14-40(15-16-45-28(42)22-9-12-25(13-10-22)39-20-41)19-23-8-11-24(31(33,34)35)18-27(23)32(36,37)38/h3,5,7-13,17-18H,4,6,14-16,19H2,1-2H3,(H,43,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonistic transcriptional activity in CV-1 cells expressing Gal4-PPAR delta chimera				Bioorg Med Chem Lett 11: 2959-62 (2001) BindingDB Entry DOI: 10.7270/Q2V69HWQ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50106109 (4-Isocyanato-benzoic acid 2-((2,4-bis-trifluoromet...) Show SMILES CC(C)(Oc1cccc(CCCN(CCOC(=O)c2ccc(cc2)N=C=O)Cc2ccc(cc2C(F)(F)F)C(F)(F)F)c1)C(O)=O Show InChI InChI=1S/C32H30F6N2O6/c1-30(2,29(43)44)46-26-7-3-5-21(17-26)6-4-14-40(15-16-45-28(42)22-9-12-25(13-10-22)39-20-41)19-23-8-11-24(31(33,34)35)18-27(23)32(36,37)38/h3,5,7-13,17-18H,4,6,14-16,19H2,1-2H3,(H,43,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonistic transcriptional activity in CV-1 cells expressing Gal4-PPAR alpha chimera				Bioorg Med Chem Lett 11: 2959-62 (2001) BindingDB Entry DOI: 10.7270/Q2V69HWQ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50106109 (4-Isocyanato-benzoic acid 2-((2,4-bis-trifluoromet...) Show SMILES CC(C)(Oc1cccc(CCCN(CCOC(=O)c2ccc(cc2)N=C=O)Cc2ccc(cc2C(F)(F)F)C(F)(F)F)c1)C(O)=O Show InChI InChI=1S/C32H30F6N2O6/c1-30(2,29(43)44)46-26-7-3-5-21(17-26)6-4-14-40(15-16-45-28(42)22-9-12-25(13-10-22)39-20-41)19-23-8-11-24(31(33,34)35)18-27(23)32(36,37)38/h3,5,7-13,17-18H,4,6,14-16,19H2,1-2H3,(H,43,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonistic transcriptional activity in CV-1 cells expressing Gal4-PPAR gamma chimera				Bioorg Med Chem Lett 11: 2959-62 (2001) BindingDB Entry DOI: 10.7270/Q2V69HWQ
					More data for this Ligand-Target Pair