Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50218455'   

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))	BDBM50218455 (4-[5-ethyl-7,7,10,10-tetramethyl-2-(3-trifluoromet...) Show SMILES CCN1c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:25| Show InChI InChI=1S/C37H36F3N3O4S/c1-6-43-31-15-14-25(42-48(46,47)26-9-7-8-24(18-26)37(38,39)40)19-30(31)41-33(22-10-12-23(13-11-22)34(44)45)27-20-28-29(21-32(27)43)36(4,5)17-16-35(28,2)3/h7-15,18-21,42H,6,16-17H2,1-5H3,(H,44,45)	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	95	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation				Bioorg Med Chem Lett 17: 4808-11 (2007) Article DOI: 10.1016/j.bmcl.2007.06.079 BindingDB Entry DOI: 10.7270/Q2V40TWB
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50218455 (4-[5-ethyl-7,7,10,10-tetramethyl-2-(3-trifluoromet...) Show SMILES CCN1c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:25| Show InChI InChI=1S/C37H36F3N3O4S/c1-6-43-31-15-14-25(42-48(46,47)26-9-7-8-24(18-26)37(38,39)40)19-30(31)41-33(22-10-12-23(13-11-22)34(44)45)27-20-28-29(21-32(27)43)36(4,5)17-16-35(28,2)3/h7-15,18-21,42H,6,16-17H2,1-5H3,(H,44,45)	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	160	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation				Bioorg Med Chem Lett 17: 4808-11 (2007) Article DOI: 10.1016/j.bmcl.2007.06.079 BindingDB Entry DOI: 10.7270/Q2V40TWB
					More data for this Ligand-Target Pair