Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50254466'   

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))	BDBM50254466 (5-amino-N-(2-((2,6-dichloro-N-ethylbenzamido)methy...) Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.16	n/a	n/a	n/a	n/a	n/a	n/a
Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 19: 158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50254466 (5-amino-N-(2-((2,6-dichloro-N-ethylbenzamido)methy...) Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay				Bioorg Med Chem Lett 19: 158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79
					More data for this Ligand-Target Pair				3D Structure (crystal)