Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM445047'   

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))	BDBM445047 (US10668167, Compound 59) Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2cccc(N)c2)cc1 |r,c:14,t:10| Show InChI InChI=1S/C34H36FNO6S/c1-31-13-12-22(38)14-20(31)8-11-25-26-16-29-34(28(40)18-37,32(26,2)17-27(39)33(25,31)35)42-30(41-29)19-6-9-23(10-7-19)43-24-5-3-4-21(36)15-24/h3-7,9-10,12-15,25-27,29-30,37,39H,8,11,16-18,36H2,1-2H3/t25-,26-,27-,29+,30+,31-,32-,33-,34+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.7	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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