BindingDB PrimarySearch

BDBM50132580 (2E,4E,6E)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-ethoxy)-phenyl]-6-fluoro-3-methyl-octa-2,4,6-trienoic acid::CHEMBL111217

SMILES: C\C(\C=C\C(\F)=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O

InChI Key: InChIKey=WDIPTEIUSFFSDV-WEMQTCASSA-N

Data: 8 KI 1 IC50 4 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50132580
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50132580 ((2E,4E,6E)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity against RXR alpha receptor using [3H]-9-cis-RA as radioligand in CV-1 cells				Bioorg Med Chem Lett 13: 4071-5 (2003) BindingDB Entry DOI: 10.7270/Q2V987GP
Ligand Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50132580 ((2E,4E,6E)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Synergistic activation of BRL49653 mediated PPAR gamma and retinoid X receptor alpha expressed in CV-1 cell transcriptional activation assay				Bioorg Med Chem Lett 13: 3191-5 (2003) BindingDB Entry DOI: 10.7270/Q2736Q9T
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50132580 ((2E,4E,6E)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description Displacement of [3H]-9-cis-RA from RXR beta receptor in CV-1 cells				Bioorg Med Chem Lett 13: 4071-5 (2003) BindingDB Entry DOI: 10.7270/Q2V987GP
Ligand Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50132580 ((2E,4E,6E)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity against RXR gamma receptor using [3H]-9-cis-RA as radioligand in CV-1 cells				Bioorg Med Chem Lett 13: 4071-5 (2003) BindingDB Entry DOI: 10.7270/Q2V987GP
Ligand Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50132580 ((2E,4E,6E)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity against RAR beta receptor using [3H]-ATRA as radioligand in CV-1 cells				Bioorg Med Chem Lett 13: 4071-5 (2003) BindingDB Entry DOI: 10.7270/Q2V987GP
Ligand Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50132580 ((2E,4E,6E)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity against RAR alpha receptor using [3H]-ATRA as radioligand in CV-1 cells				Bioorg Med Chem Lett 13: 4071-5 (2003) BindingDB Entry DOI: 10.7270/Q2V987GP
Ligand Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50132580 ((2E,4E,6E)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of 3[H]ATRA binding to retinoid acid receptor gamma expressed in CV-1 cells				Bioorg Med Chem Lett 13: 3191-5 (2003) BindingDB Entry DOI: 10.7270/Q2736Q9T
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50132580 ((2E,4E,6E)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity against RAR gamma receptor using [3H]-ATRA as radioligand in CV-1 cells				Bioorg Med Chem Lett 13: 4071-5 (2003) BindingDB Entry DOI: 10.7270/Q2V987GP
Ligand Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50132580 ((2E,4E,6E)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description In vitro agonistic activity against PPAR gamma along with 100 nM BRL49653				Bioorg Med Chem Lett 13: 4071-5 (2003) BindingDB Entry DOI: 10.7270/Q2V987GP
Ligand Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50132580 ((2E,4E,6E)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	6.40	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description In vitro agonist efficacy against PPAR gamma along with 100 nM BRL49653				Bioorg Med Chem Lett 13: 4071-5 (2003) BindingDB Entry DOI: 10.7270/Q2V987GP
Ligand Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50132580 ((2E,4E,6E)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	6.80	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against Retinoic acid receptor RXR-alpha expressed in CV-1 cell transcriptional activation assay				Bioorg Med Chem Lett 13: 3191-5 (2003) BindingDB Entry DOI: 10.7270/Q2736Q9T
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50132580 ((2E,4E,6E)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description In vitro agonist efficacy against PPAR gamma along with 100 nM BRL49653				Bioorg Med Chem Lett 13: 4071-5 (2003) BindingDB Entry DOI: 10.7270/Q2V987GP
Ligand Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor gamma/Retinoid X receptor alpha (Homo sapiens (Human))	BDBM50132580 ((2E,4E,6E)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	6.40	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of 3[H]-9-cis-retinoic acid binding to Retinoic acid receptor RXR-alpha expressed in CV-1 cells				Bioorg Med Chem Lett 13: 3191-5 (2003) BindingDB Entry DOI: 10.7270/Q2736Q9T
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair