Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50151227'   

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))	BDBM50151227 (4-[(3-Butoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydr...) Show SMILES [#6]-[#6]-[#6]-[#6]-[#8]-c1cc2c(cc1\[#6](=[#6]-1\[#6]-[#6]-1)-c1ccc(cc1)-[#6](-[#8])=O)C([#6])([#6])[#6]-[#6]C2([#6])[#6] Show InChI InChI=1S/C29H36O3/c1-6-7-16-32-25-18-24-23(28(2,3)14-15-29(24,4)5)17-22(25)26(19-8-9-19)20-10-12-21(13-11-20)27(30)31/h10-13,17-18H,6-9,14-16H2,1-5H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-9-cis-retinoic acid binding to human retinoid X receptor alpha ligand-binding domain expressed in E. coli				J Med Chem 47: 4360-72 (2004) Article DOI: 10.1021/jm030651g BindingDB Entry DOI: 10.7270/Q24749B0
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