Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM445039'   

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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM445039 (US10668167, Compound 49) Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)c(O)c1 |r,c:13,t:9| Show InChI InChI=1S/C35H39NO7/c1-33-11-10-24(38)15-22(33)8-9-25-26-16-30-35(29(41)18-37,34(26,2)17-28(40)31(25)33)43-32(42-30)21-7-6-20(27(39)14-21)12-19-4-3-5-23(36)13-19/h3-7,10-11,13-15,25-26,28,30-32,37,39-40H,8-9,12,16-18,36H2,1-2H3/t25-,26-,28-,30+,31+,32+,33-,34-,35+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...				US Patent US10668167 (2020) BindingDB Entry DOI: 10.7270/Q2B56NSW
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