Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor alpha' and Ligand = 'BDBM50158413'   

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))	BDBM50158413 (CHEMBL388283 | N-(1H-1,2,4-triazol-1-yl)-(E)-retin...) Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=CC(C)=CC(=O)n1cncn1 |w:14.14,18.19,c:4| Show InChI InChI=1S/C22H29N3O/c1-17(11-12-20-19(3)10-7-13-22(20,4)5)8-6-9-18(2)14-21(26)25-16-23-15-24-25/h6,8-9,11-12,14-16H,7,10,13H2,1-5H3/b9-6?,12-11+,17-8+,18-14?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	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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