Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50040025'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50040025 (4-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydr...) Show SMILES COc1cc2c(cc1C(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C23H26O4/c1-22(2)10-11-23(3,4)18-13-19(27-5)16(12-17(18)22)20(24)14-6-8-15(9-7-14)21(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Effective concentration against retinoid receptor isoform (RXR alpha) expressed in CV-1 cells				J Med Chem 37: 2930-41 (1994) BindingDB Entry DOI: 10.7270/Q27080G3
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50040025 (4-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydr...) Show SMILES COc1cc2c(cc1C(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C23H26O4/c1-22(2)10-11-23(3,4)18-13-19(27-5)16(12-17(18)22)20(24)14-6-8-15(9-7-14)21(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR alpha				J Med Chem 37: 2930-41 (1994) BindingDB Entry DOI: 10.7270/Q27080G3
					More data for this Ligand-Target Pair