Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ecdysone receptor' and Ligand = 'BDBM50326761'   

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
Ecdysone receptor (Lucilia cuprina)	BDBM50326761 (1-(2-tert-butylphenyl)-4-isopropyl-5-methylene-2-o...) Show SMILES CC(C)C1=C(C#N)C(=O)N(C1=C)c1ccccc1C(C)(C)C |c:3| Show InChI InChI=1S/C19H22N2O/c1-12(2)17-13(3)21(18(22)14(17)11-20)16-10-8-7-9-15(16)19(4,5)6/h7-10,12H,3H2,1-2,4-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
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