Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor alpha' and Ligand = 'BDBM50091699'   

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))	BDBM50091699 ((2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-3-[1...) Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1cnnc1)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C22H29N3O2/c1-16(7-6-8-17(2)13-21(26)27)9-10-19-18(3)20(11-12-22(19,4)5)25-14-23-24-15-25/h6-10,13-15,20H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,16-7+,17-13+	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	4.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [11,12-3H]ARTA from RARalpha				J Med Chem 47: 6716-29 (2004) Article DOI: 10.1021/jm0401457 BindingDB Entry DOI: 10.7270/Q2K64HJV
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