Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor beta' and Ligand = 'BDBM50052412'   

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 beta (Homo sapiens (Human))	BDBM50052412 (4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...) Show SMILES CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1 Show InChI InChI=1S/C22H22BrF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor RAR beta				Bioorg Med Chem Lett 12: 3145-8 (2002) BindingDB Entry DOI: 10.7270/Q2WW7H0H
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50052412 (4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...) Show SMILES CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1 Show InChI InChI=1S/C22H22BrF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a
Allergan Inc Curated by ChEMBL					Assay Description Binding affinity for baculovirus-expressed Retinoic acid receptor RAR beta				J Med Chem 39: 3035-8 (1996) Article DOI: 10.1021/jm9603532 BindingDB Entry DOI: 10.7270/Q2W37VD3
					More data for this Ligand-Target Pair