Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor alpha' and Ligand = 'BDBM50045266'   

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 alpha (Homo sapiens (Human))	BDBM50045266 (4-[(E)-2-(4,4-Dimethyl-thiochroman-6-yl)-propenyl]...) Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2SCCC(C)(C)c2c1 Show InChI InChI=1S/C21H22O2S/c1-14(12-15-4-6-16(7-5-15)20(22)23)17-8-9-19-18(13-17)21(2,3)10-11-24-19/h4-9,12-13H,10-11H2,1-3H3,(H,22,23)/b14-12+	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	27	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Effective concentration against RAR-alpha receptor				J Med Chem 36: 2605-13 (1993) BindingDB Entry DOI: 10.7270/Q21R6PKP
					More data for this Ligand-Target Pair