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SMILES: Cc1cc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc(C)c1OC(C)(C)C(O)=O

InChI Key:

PDB links: 1 PDB ID matches this monomer.

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 9 hits for monomerid = 50584465   

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 (Homo sapiens (Human))	BDBM50584465 (CHEMBL5084377) Show SMILES Cc1cc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc(C)c1OC(C)(C)C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARalpha (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02002 BindingDB Entry DOI: 10.7270/Q2VQ36KV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50584465 (CHEMBL5084377) Show SMILES Cc1cc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc(C)c1OC(C)(C)C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	8.40	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARdelta (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02002 BindingDB Entry DOI: 10.7270/Q2VQ36KV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50584465 (CHEMBL5084377) Show SMILES Cc1cc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc(C)c1OC(C)(C)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARgamma (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02002 BindingDB Entry DOI: 10.7270/Q2VQ36KV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50584465 (CHEMBL5084377) Show SMILES Cc1cc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc(C)c1OC(C)(C)C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human PPARalpha transfected in Cos7 cells co-expressing pBIND and pGL4.35 Gal4 UAS Luc reporter plasmid by measuring luciferase a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02002 BindingDB Entry DOI: 10.7270/Q2VQ36KV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50584465 (CHEMBL5084377) Show SMILES Cc1cc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc(C)c1OC(C)(C)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at mouse PPARgamma in Cos7 cells transfected with pBIND and pGL4.35 Gal4 UAS Luc reporter plasmid by measuring luciferase activity i...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02002 BindingDB Entry DOI: 10.7270/Q2VQ36KV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50584465 (CHEMBL5084377) Show SMILES Cc1cc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc(C)c1OC(C)(C)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human PPARgamma transfected in Cos7 cells co-expressing with pBIND and pGL4.35 Gal4 UAS Luc reporter plasmid by measuring lucifer...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02002 BindingDB Entry DOI: 10.7270/Q2VQ36KV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Mus musculus)	BDBM50584465 (CHEMBL5084377) Show SMILES Cc1cc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc(C)c1OC(C)(C)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at mouse PPARalpha transfected in Cos7 cells co-expressing with pBIND and pGL4.35 Gal4 UAS Luc reporter plasmid by measuring lucifer...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02002 BindingDB Entry DOI: 10.7270/Q2VQ36KV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Mus musculus)	BDBM50584465 (CHEMBL5084377) Show SMILES Cc1cc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc(C)c1OC(C)(C)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at mouse PPARdelta in Cos7 cells transfected with pBIND and pGL4.35 Gal4 UAS Luc reporter plasmid by measuring luciferase activity i...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02002 BindingDB Entry DOI: 10.7270/Q2VQ36KV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50584465 (CHEMBL5084377) Show SMILES Cc1cc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc(C)c1OC(C)(C)C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	5.30	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human PPARdelta transfected in Cos7 cells co-expressing with pBIND and pGL4.35 Gal4 UAS Luc reporter plasmid by measuring lucifer...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02002 BindingDB Entry DOI: 10.7270/Q2VQ36KV
					More data for this Ligand-Target Pair				3D Structure (crystal)