Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50218492'   

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))	BDBM50218492 (4-[5-ethyl-2-(4-fluoro-benzenesulfonylamino)-7,7,1...) Show SMILES CCN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:22| Show InChI InChI=1S/C36H36FN3O4S/c1-6-40-31-16-13-25(39-45(43,44)26-14-11-24(37)12-15-26)19-30(31)38-33(22-7-9-23(10-8-22)34(41)42)27-20-28-29(21-32(27)40)36(4,5)18-17-35(28,2)3/h7-16,19-21,39H,6,17-18H2,1-5H3,(H,41,42)	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	220	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))	BDBM50218492 (4-[5-ethyl-2-(4-fluoro-benzenesulfonylamino)-7,7,1...) Show SMILES CCN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:22| Show InChI InChI=1S/C36H36FN3O4S/c1-6-40-31-16-13-25(39-45(43,44)26-14-11-24(37)12-15-26)19-30(31)38-33(22-7-9-23(10-8-22)34(41)42)27-20-28-29(21-32(27)40)36(4,5)18-17-35(28,2)3/h7-16,19-21,39H,6,17-18H2,1-5H3,(H,41,42)	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	420	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