Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor alpha' and Ligand = 'BDBM50097825'   

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))	BDBM50097825 (4-{(E)-4-[6-(4-tert-Butyl-phenyl)-3,3-dimethyl-cyc...) Show SMILES CC(C)(C)c1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O |c:17,t:11| Show InChI InChI=1S/C29H30O2/c1-28(2,3)25-16-14-22(15-17-25)26-18-19-29(4,5)20-24(26)9-7-6-8-21-10-12-23(13-11-21)27(30)31/h7,9-18,20H,19H2,1-5H3,(H,30,31)/b9-7+	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
Allergan Inc Curated by ChEMBL					Assay Description Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligand				Bioorg Med Chem Lett 11: 765-8 (2001) BindingDB Entry DOI: 10.7270/Q2348JN3
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