Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM445018'   

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))	BDBM445018 (US10668167, Compound 27) Show SMILES CNc1ccc(Cc2ccc(cc2)[C@@H]2O[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@@]3(O2)C(=O)CO)cc1 |r,c:27,t:23| Show InChI InChI=1S/C36H39F2NO6/c1-33-13-12-24(41)15-27(33)28(37)16-26-25-17-31-36(30(43)19-40,34(25,2)18-29(42)35(26,33)38)45-32(44-31)22-8-4-20(5-9-22)14-21-6-10-23(39-3)11-7-21/h4-13,15,25-26,28-29,31-32,39-40,42H,14,16-19H2,1-3H3/t25-,26-,28-,29-,31+,32+,33-,34-,35-,36+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	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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