Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50429866'   

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))	BDBM50429866 (CHEMBL2332887) Show SMILES Cc1cc2c(cc1-n1c(nc3cc(ccc13)C(O)=O)C(F)(F)F)C(C)(C)CCC2(C)C |(23.28,-13.29,;21.95,-14.06,;20.61,-13.28,;19.28,-14.05,;19.28,-15.59,;20.6,-16.36,;21.94,-15.6,;23.27,-16.37,;23.43,-17.9,;24.94,-18.23,;25.71,-16.9,;27.22,-16.58,;27.7,-15.12,;26.67,-13.97,;25.17,-14.29,;24.69,-15.75,;29.21,-14.81,;30.24,-15.95,;29.69,-13.33,;22.29,-18.93,;20.84,-18.45,;22.61,-20.43,;21.2,-20.01,;17.92,-16.37,;16.94,-17.54,;18.94,-17.52,;16.61,-15.59,;16.6,-14.04,;17.96,-13.26,;18.94,-12.09,;16.93,-12.11,)| Show InChI InChI=1S/C24H25F3N2O2/c1-13-10-15-16(23(4,5)9-8-22(15,2)3)12-19(13)29-18-7-6-14(20(30)31)11-17(18)28-21(29)24(25,26)27/h6-7,10-12H,8-9H2,1-5H3,(H,30,31)	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	15	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Agonist activity at human RXRalpha expressed in African green monkey COS1 cells harboring CRBP2-tk-luc reporter incubated for 18 hrs by steady-glo lu...				Bioorg Med Chem Lett 29: 1891-1894 (2019) Article DOI: 10.1016/j.bmcl.2019.05.050 BindingDB Entry DOI: 10.7270/Q2K64NKZ
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50429866 (CHEMBL2332887) Show SMILES Cc1cc2c(cc1-n1c(nc3cc(ccc13)C(O)=O)C(F)(F)F)C(C)(C)CCC2(C)C |(23.28,-13.29,;21.95,-14.06,;20.61,-13.28,;19.28,-14.05,;19.28,-15.59,;20.6,-16.36,;21.94,-15.6,;23.27,-16.37,;23.43,-17.9,;24.94,-18.23,;25.71,-16.9,;27.22,-16.58,;27.7,-15.12,;26.67,-13.97,;25.17,-14.29,;24.69,-15.75,;29.21,-14.81,;30.24,-15.95,;29.69,-13.33,;22.29,-18.93,;20.84,-18.45,;22.61,-20.43,;21.2,-20.01,;17.92,-16.37,;16.94,-17.54,;18.94,-17.52,;16.61,-15.59,;16.6,-14.04,;17.96,-13.26,;18.94,-12.09,;16.93,-12.11,)| Show InChI InChI=1S/C24H25F3N2O2/c1-13-10-15-16(23(4,5)9-8-22(15,2)3)12-19(13)29-18-7-6-14(20(30)31)11-17(18)28-21(29)24(25,26)27/h6-7,10-12H,8-9H2,1-5H3,(H,30,31)	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	15	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay				J Med Chem 56: 1865-77 (2013) Article DOI: 10.1021/jm400033f BindingDB Entry DOI: 10.7270/Q2348MR8
					More data for this Ligand-Target Pair