Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM445030'   

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))	BDBM445030 (US10668167, Compound 38) Show SMILES C[C@H](Nc1ccc(cn1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1ccc(N)cc1 |r,c:22,t:18| Show InChI InChI=1S/C35H40FN3O6/c1-19(20-4-8-23(37)9-5-20)39-30-11-6-21(17-38-30)31-44-29-15-26-25-10-7-22-14-24(41)12-13-32(22,2)34(25,36)27(42)16-33(26,3)35(29,45-31)28(43)18-40/h4-6,8-9,11-14,17,19,25-27,29,31,40,42H,7,10,15-16,18,37H2,1-3H3,(H,38,39)/t19-,25-,26-,27-,29+,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	12.8	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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