Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor alpha' and Ligand = 'BDBM50120063'   

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 alpha (Homo sapiens (Human))	BDBM50120063 (2,6-Difluoro-4-[(3-hydroxy-5,5,8,8-tetramethyl-5,6...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=O)Nc3cc(F)c(C(O)=O)c(F)c3)c(O)cc12 Show InChI InChI=1S/C22H23F2NO4/c1-21(2)5-6-22(3,4)14-10-17(26)12(9-13(14)21)19(27)25-11-7-15(23)18(20(28)29)16(24)8-11/h7-10,26H,5-6H2,1-4H3,(H,25,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Effective concentration for retinoic acid receptor RAR alpha transcriptional activation				Bioorg Med Chem Lett 12: 3145-8 (2002) BindingDB Entry DOI: 10.7270/Q2WW7H0H
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50120063 (2,6-Difluoro-4-[(3-hydroxy-5,5,8,8-tetramethyl-5,6...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=O)Nc3cc(F)c(C(O)=O)c(F)c3)c(O)cc12 Show InChI InChI=1S/C22H23F2NO4/c1-21(2)5-6-22(3,4)14-10-17(26)12(9-13(14)21)19(27)25-11-7-15(23)18(20(28)29)16(24)8-11/h7-10,26H,5-6H2,1-4H3,(H,25,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	112	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Effective concentration for retinoic acid receptor RAR alpha transcriptional activation				Bioorg Med Chem Lett 12: 3145-8 (2002) BindingDB Entry DOI: 10.7270/Q2WW7H0H
					More data for this Ligand-Target Pair