Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ecdysone receptor' and Ligand = 'BDBM50414649'   

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 (Drosophila melanogaster)	BDBM50414649 (CHEMBL561275) Show SMILES CC(C)CC[C@H](O)[C@@](C)(O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C |r,@:1| Show InChI InChI=1S/C27H48O3/c1-17(2)6-11-24(29)27(5,30)23-10-9-21-20-8-7-18-16-19(28)12-14-25(18,3)22(20)13-15-26(21,23)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19-,20-,21-,22-,23-,24+,25-,26-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed				Bioorg Med Chem 17: 5868-73 (2009) Article DOI: 10.1016/j.bmc.2009.07.011 BindingDB Entry DOI: 10.7270/Q2H70H2S
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