Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 496.5 BDBM50172020

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

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))	BDBM50172020 (2-Cyclohexylmethyl-4-(5-fluoro-2-hydroxy-phenyl)-2...) Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCCC3)CC(C)(C)c3cc(F)ccc3O)cc12 Show InChI InChI=1S/C28H33FN2O5/c1-17-22-14-20(10-11-21(22)25(33)36-31-17)30-26(34)28(35,15-18-7-5-4-6-8-18)16-27(2,3)23-13-19(29)9-12-24(23)32/h9-14,18,32,35H,4-8,15-16H2,1-3H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50172020 (2-Cyclohexylmethyl-4-(5-fluoro-2-hydroxy-phenyl)-2...) Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCCC3)CC(C)(C)c3cc(F)ccc3O)cc12 Show InChI InChI=1S/C28H33FN2O5/c1-17-22-14-20(10-11-21(22)25(33)36-31-17)30-26(34)28(35,15-18-7-5-4-6-8-18)16-27(2,3)23-13-19(29)9-12-24(23)32/h9-14,18,32,35H,4-8,15-16H2,1-3H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50172020 (2-Cyclohexylmethyl-4-(5-fluoro-2-hydroxy-phenyl)-2...) Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCCC3)CC(C)(C)c3cc(F)ccc3O)cc12 Show InChI InChI=1S/C28H33FN2O5/c1-17-22-14-20(10-11-21(22)25(33)36-31-17)30-26(34)28(35,15-18-7-5-4-6-8-18)16-27(2,3)23-13-19(29)9-12-24(23)32/h9-14,18,32,35H,4-8,15-16H2,1-3H3,(H,30,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards mineralocorticoid receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50172020 (2-Cyclohexylmethyl-4-(5-fluoro-2-hydroxy-phenyl)-2...) Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCCC3)CC(C)(C)c3cc(F)ccc3O)cc12 Show InChI InChI=1S/C28H33FN2O5/c1-17-22-14-20(10-11-21(22)25(33)36-31-17)30-26(34)28(35,15-18-7-5-4-6-8-18)16-27(2,3)23-13-19(29)9-12-24(23)32/h9-14,18,32,35H,4-8,15-16H2,1-3H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Effective concentration against inhibition of Dexamethasone induced glucocorticoid receptor transactivation of mouse mammary tumor virus luciferase g...				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair