Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM445054'   

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))	BDBM445054 (US10668167, Compound 69) Show SMILES C[C@]1(O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1ccc(Sc2ccc(N)cc2)cc1 |r,c:14,t:10| Show InChI InChI=1S/C35H37F2NO6S/c1-31-13-12-21(40)14-26(31)27(36)15-25-24-16-30-35(29(42)18-39,32(24,2)17-28(41)34(25,31)37)44-33(3,43-30)19-4-8-22(9-5-19)45-23-10-6-20(38)7-11-23/h4-14,24-25,27-28,30,39,41H,15-18,38H2,1-3H3/t24-,25-,27-,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	12	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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