Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor beta' and Ligand = 'BDBM50061619'   

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))	BDBM50061619 (4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5H-13...) Show SMILES CC1(C)CCC(C)(C)c2cc3c(Cc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12 |c:20| Show InChI InChI=1S/C29H29NO2/c1-28(2)13-14-29(3,4)24-17-22-21(16-23(24)28)15-20-7-5-6-8-25(20)30-26(22)18-9-11-19(12-10-18)27(31)32/h5-12,16-17H,13-15H2,1-4H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description Synergistic activity of the compound towards retinoic acid receptor-beta				J Med Chem 40: 4222-34 (1998) Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC
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