BDBM50146331 (E)-3-{3-[3,5-Di-tert-butyl-2-(2,2-difluoro-ethoxy)-phenyl]-1H-indol-5-yl}-but-2-enoic acid::CHEMBL430651

SMILES: C\C(=C/C(O)=O)c1ccc2[nH]cc(-c3cc(cc(c3OCC(F)F)C(C)(C)C)C(C)(C)C)c2c1

InChI Key: InChIKey=POAAIJQVWHRDMG-MHWRWJLKSA-N

Data: 2 KI  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 = 50146331   

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
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50146331 ((E)-3-{3-[3,5-Di-tert-butyl-2-(2,2-difluoro-ethoxy...) Show SMILES C\C(=C/C(O)=O)c1ccc2[nH]cc(-c3cc(cc(c3OCC(F)F)C(C)(C)C)C(C)(C)C)c2c1 Show InChI InChI=1S/C28H33F2NO3/c1-16(10-25(32)33)17-8-9-23-19(11-17)21(14-31-23)20-12-18(27(2,3)4)13-22(28(5,6)7)26(20)34-15-24(29)30/h8-14,24,31H,15H2,1-7H3,(H,32,33)/b16-10+	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	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [3H]-9-cis-RA from Retinoid X receptor alpha in CV-1 cells				Bioorg Med Chem Lett 14: 2759-63 (2004) Article DOI: 10.1016/j.bmcl.2004.03.073 BindingDB Entry DOI: 10.7270/Q2513XNB
					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50146331 ((E)-3-{3-[3,5-Di-tert-butyl-2-(2,2-difluoro-ethoxy...) Show SMILES C\C(=C/C(O)=O)c1ccc2[nH]cc(-c3cc(cc(c3OCC(F)F)C(C)(C)C)C(C)(C)C)c2c1 Show InChI InChI=1S/C28H33F2NO3/c1-16(10-25(32)33)17-8-9-23-19(11-17)21(14-31-23)20-12-18(27(2,3)4)13-22(28(5,6)7)26(20)34-15-24(29)30/h8-14,24,31H,15H2,1-7H3,(H,32,33)/b16-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article 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 Ability to displace [3H]-ATRA from Retinoic acid receptor gamma in CV-1 cells				Bioorg Med Chem Lett 14: 2759-63 (2004) Article DOI: 10.1016/j.bmcl.2004.03.073 BindingDB Entry DOI: 10.7270/Q2513XNB
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50146331 ((E)-3-{3-[3,5-Di-tert-butyl-2-(2,2-difluoro-ethoxy...) Show SMILES C\C(=C/C(O)=O)c1ccc2[nH]cc(-c3cc(cc(c3OCC(F)F)C(C)(C)C)C(C)(C)C)c2c1 Show InChI InChI=1S/C28H33F2NO3/c1-16(10-25(32)33)17-8-9-23-19(11-17)21(14-31-23)20-12-18(27(2,3)4)13-22(28(5,6)7)26(20)34-15-24(29)30/h8-14,24,31H,15H2,1-7H3,(H,32,33)/b16-10+	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	Article PubMed	n/a	n/a	n/a	n/a	65	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [3H]-9-cis-RA from Retinoid X receptor alpha in CV-1 cells				Bioorg Med Chem Lett 14: 2759-63 (2004) Article DOI: 10.1016/j.bmcl.2004.03.073 BindingDB Entry DOI: 10.7270/Q2513XNB
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50146331 ((E)-3-{3-[3,5-Di-tert-butyl-2-(2,2-difluoro-ethoxy...) Show SMILES C\C(=C/C(O)=O)c1ccc2[nH]cc(-c3cc(cc(c3OCC(F)F)C(C)(C)C)C(C)(C)C)c2c1 Show InChI InChI=1S/C28H33F2NO3/c1-16(10-25(32)33)17-8-9-23-19(11-17)21(14-31-23)20-12-18(27(2,3)4)13-22(28(5,6)7)26(20)34-15-24(29)30/h8-14,24,31H,15H2,1-7H3,(H,32,33)/b16-10+	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	Article PubMed	n/a	n/a	n/a	n/a	66	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [3H]-9-cis-RA from Retinoid X receptor alpha in CV-1 cells				Bioorg Med Chem Lett 14: 2759-63 (2004) Article DOI: 10.1016/j.bmcl.2004.03.073 BindingDB Entry DOI: 10.7270/Q2513XNB
					More data for this Ligand-Target Pair