Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50218438'   

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))	BDBM50218438 (4-[5,7,7,10,10-pentamethyl-2-(4-trifluoromethoxy-b...) Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |t:9| Show InChI InChI=1S/C36H33F3N2O5S/c1-34(2)16-17-35(3,4)28-20-31-26(19-27(28)34)32(21-6-8-22(9-7-21)33(42)43)40-29-18-25(14-15-30(29)41(31)5)47(44,45)24-12-10-23(11-13-24)46-36(37,38)39/h6-15,18-20H,16-17H2,1-5H3,(H,42,43)	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	130	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation				Bioorg Med Chem Lett 17: 4804-7 (2007) Article DOI: 10.1016/j.bmcl.2007.06.080 BindingDB Entry DOI: 10.7270/Q2ZS2W7W
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50218438 (4-[5,7,7,10,10-pentamethyl-2-(4-trifluoromethoxy-b...) Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |t:9| Show InChI InChI=1S/C36H33F3N2O5S/c1-34(2)16-17-35(3,4)28-20-31-26(19-27(28)34)32(21-6-8-22(9-7-21)33(42)43)40-29-18-25(14-15-30(29)41(31)5)47(44,45)24-12-10-23(11-13-24)46-36(37,38)39/h6-15,18-20H,16-17H2,1-5H3,(H,42,43)	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	240	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of LG100268-induced RXRalpha transactivation				Bioorg Med Chem Lett 17: 4804-7 (2007) Article DOI: 10.1016/j.bmcl.2007.06.080 BindingDB Entry DOI: 10.7270/Q2ZS2W7W
					More data for this Ligand-Target Pair