Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50339090'   

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))	BDBM50339090 (6-[(3-Benzyloxy-4-isopropylphenyl)-ethylamino]nico...) Show SMILES CCN(c1ccc(C(C)C)c(OCc2ccccc2)c1)c1ccc(cn1)C(O)=O Show InChI InChI=1S/C24H26N2O3/c1-4-26(23-13-10-19(15-25-23)24(27)28)20-11-12-21(17(2)3)22(14-20)29-16-18-8-6-5-7-9-18/h5-15,17H,4,16H2,1-3H3,(H,27,28)	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	n/a	n/a	160	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at RXRalpha transfected in human COS1 cells after 18 hrs by luciferase reporter gene transactivation assay				ACS Med Chem Lett 1: 521-525 (2010) Article DOI: 10.1021/ml100184k BindingDB Entry DOI: 10.7270/Q28S4Q6X
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