BindingDB PrimarySearch

BDBM50141597 (E)-3-{4-[3,5-Di-tert-butyl-2-(3,3-difluoro-propoxy)-phenyl]-benzo[b]thiophen-2-yl}-but-2-enoic acid::CHEMBL43238

SMILES: C\C(=C/C(O)=O)c1cc2c(cccc2s1)-c1cc(cc(c1OCCC(F)F)C(C)(C)C)C(C)(C)C

InChI Key: InChIKey=JLAHIRHKOIBLKL-GHRIWEEISA-N

Data: 6 KI 1 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50141597
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))	BDBM50141597 ((E)-3-{4-[3,5-Di-tert-butyl-2-(3,3-difluoro-propox...) 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	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description Antagonist activity for Retinoic X receptor alpha in CV1 cells				Bioorg Med Chem Lett 14: 1593-8 (2004) Article DOI: 10.1016/j.bmcl.2003.12.089 BindingDB Entry DOI: 10.7270/Q2B857JF
Ligand Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50141597 ((E)-3-{4-[3,5-Di-tert-butyl-2-(3,3-difluoro-propox...) 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	Article 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 Retinoic X receptor beta				Bioorg Med Chem Lett 14: 1593-8 (2004) Article DOI: 10.1016/j.bmcl.2003.12.089 BindingDB Entry DOI: 10.7270/Q2B857JF
Ligand Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50141597 ((E)-3-{4-[3,5-Di-tert-butyl-2-(3,3-difluoro-propox...) 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	Article PubMed	37	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 retinoic X receptor gamma				Bioorg Med Chem Lett 14: 1593-8 (2004) Article DOI: 10.1016/j.bmcl.2003.12.089 BindingDB Entry DOI: 10.7270/Q2B857JF
Ligand Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid X receptor gamma (Mus musculus)	BDBM50141597 ((E)-3-{4-[3,5-Di-tert-butyl-2-(3,3-difluoro-propox...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity against retinoic acid receptor gamma by [3H]-ATRA displacement.				Bioorg Med Chem Lett 14: 1593-8 (2004) Article DOI: 10.1016/j.bmcl.2003.12.089 BindingDB Entry DOI: 10.7270/Q2B857JF
Ligand Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid X receptor beta (Mus musculus)	BDBM50141597 ((E)-3-{4-[3,5-Di-tert-butyl-2-(3,3-difluoro-propox...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.				Bioorg Med Chem Lett 14: 1593-8 (2004) Article DOI: 10.1016/j.bmcl.2003.12.089 BindingDB Entry DOI: 10.7270/Q2B857JF
Ligand Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50141597 ((E)-3-{4-[3,5-Di-tert-butyl-2-(3,3-difluoro-propox...) 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	Article 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 retinoic acid receptor alpha by [3H]-ATRA displacement.				Bioorg Med Chem Lett 14: 1593-8 (2004) Article DOI: 10.1016/j.bmcl.2003.12.089 BindingDB Entry DOI: 10.7270/Q2B857JF
Ligand Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50141597 ((E)-3-{4-[3,5-Di-tert-butyl-2-(3,3-difluoro-propox...) 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	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description Antagonist activity for Retinoic X receptor alpha in CV1 cells				Bioorg Med Chem Lett 14: 1593-8 (2004) Article DOI: 10.1016/j.bmcl.2003.12.089 BindingDB Entry DOI: 10.7270/Q2B857JF
Ligand Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair