Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50218465'   

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))	BDBM50218465 (4-(5,7,7,10,10-pentamethyl-2-phenylmethanesulfonyl...) Show SMILES CN1c2ccc(NS(=O)(=O)Cc3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21| Show InChI InChI=1S/C36H37N3O4S/c1-35(2)17-18-36(3,4)29-21-32-27(20-28(29)35)33(24-11-13-25(14-12-24)34(40)41)37-30-19-26(15-16-31(30)39(32)5)38-44(42,43)22-23-9-7-6-8-10-23/h6-16,19-21,38H,17-18,22H2,1-5H3,(H,40,41)	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	1.00E+3	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))	BDBM50218465 (4-(5,7,7,10,10-pentamethyl-2-phenylmethanesulfonyl...) Show SMILES CN1c2ccc(NS(=O)(=O)Cc3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21| Show InChI InChI=1S/C36H37N3O4S/c1-35(2)17-18-36(3,4)29-21-32-27(20-28(29)35)33(24-11-13-25(14-12-24)34(40)41)37-30-19-26(15-16-31(30)39(32)5)38-44(42,43)22-23-9-7-6-8-10-23/h6-16,19-21,38H,17-18,22H2,1-5H3,(H,40,41)	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	5.20E+3	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