Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50061624'   

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))	BDBM50061624 (4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-...) Show SMILES CN1c2ccccc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:9| Show InChI InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-20(16-21(22)28)26(18-10-12-19(13-11-18)27(32)33)30-23-8-6-7-9-24(23)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)	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	Article PubMed	1.90E+3	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 retinoid X receptor-alpha				J Med Chem 40: 4222-34 (1998) Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC
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