BDBM50063313 CHEMBL3398454

SMILES: Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nc(co2)C(F)(F)F)cc1)-c1ccccc1

InChI Key: InChIKey=JMYUDUHXSWKCSZ-IRLDBZIGSA-N

Data: 2 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50063313   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50063313 (CHEMBL3398454) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nc(co2)C(F)(F)F)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H26F3N3O5/c1-17-23(32-25(39-17)19-5-3-2-4-6-19)11-12-37-21-9-7-18(8-10-21)13-20-14-34(15-22(20)26(35)36)27-33-24(16-38-27)28(29,30)31/h2-10,16,20,22H,11-15H2,1H3,(H,35,36)/t20-,22+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Agonist activity at GAL4 tagged human PPARalpha ligand binding domain expressed in HEK293 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50063313 (CHEMBL3398454) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nc(co2)C(F)(F)F)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H26F3N3O5/c1-17-23(32-25(39-17)19-5-3-2-4-6-19)11-12-37-21-9-7-18(8-10-21)13-20-14-34(15-22(20)26(35)36)27-33-24(16-38-27)28(29,30)31/h2-10,16,20,22H,11-15H2,1H3,(H,35,36)/t20-,22+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50063313 (CHEMBL3398454) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nc(co2)C(F)(F)F)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H26F3N3O5/c1-17-23(32-25(39-17)19-5-3-2-4-6-19)11-12-37-21-9-7-18(8-10-21)13-20-14-34(15-22(20)26(35)36)27-33-24(16-38-27)28(29,30)31/h2-10,16,20,22H,11-15H2,1H3,(H,35,36)/t20-,22+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50063313 (CHEMBL3398454) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nc(co2)C(F)(F)F)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H26F3N3O5/c1-17-23(32-25(39-17)19-5-3-2-4-6-19)11-12-37-21-9-7-18(8-10-21)13-20-14-34(15-22(20)26(35)36)27-33-24(16-38-27)28(29,30)31/h2-10,16,20,22H,11-15H2,1H3,(H,35,36)/t20-,22+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Agonist activity at GAL4 tagged human PPARgamma ligand binding domain expressed in HEK293 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair