Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50212412'   

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))	BDBM50212412 (3-(3-(1-isopropyl-4,4,6-trimethyl-2-oxo-1,2,3,4-te...) Show SMILES COc1ccc(CCC(O)=O)cc1-c1cc2N(C(C)C)C(=O)CC(C)(C)c2cc1C Show InChI InChI=1S/C25H31NO4/c1-15(2)26-21-13-18(16(3)11-20(21)25(4,5)14-23(26)27)19-12-17(8-10-24(28)29)7-9-22(19)30-6/h7,9,11-13,15H,8,10,14H2,1-6H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	361	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Activity at RXRalpha by GAL4DNA cotransfection assay				Bioorg Med Chem Lett 17: 3491-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.049 BindingDB Entry DOI: 10.7270/Q2T153B1
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