Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 404.4 BDBM50417609

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

Found 2 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))	BDBM50417609 (CHEMBL1645397) Show SMILES COc1ccc(F)cc1-c1ccc(cc1)[C@H](C)NS(=O)(=O)c1c(C)noc1C |r| Show InChI InChI=1S/C20H21FN2O4S/c1-12(23-28(24,25)20-13(2)22-27-14(20)3)15-5-7-16(8-6-15)18-11-17(21)9-10-19(18)26-4/h5-12,23H,1-4H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	25.1	n/a	n/a	n/a	n/a
Merck Research Laboratories (MSD) Curated by ChEMBL					Assay Description Binding affinity to human recombinant GR by competition ligand binding fluorescence polarization assay				Bioorg Med Chem Lett 21: 137-40 (2010) Article DOI: 10.1016/j.bmcl.2010.11.054 BindingDB Entry DOI: 10.7270/Q2FN17F9
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50417609 (CHEMBL1645397) Show SMILES COc1ccc(F)cc1-c1ccc(cc1)[C@H](C)NS(=O)(=O)c1c(C)noc1C |r| Show InChI InChI=1S/C20H21FN2O4S/c1-12(23-28(24,25)20-13(2)22-27-14(20)3)15-5-7-16(8-6-15)18-11-17(21)9-10-19(18)26-4/h5-12,23H,1-4H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	251	n/a	n/a	n/a	n/a
Merck Research Laboratories (MSD) Curated by ChEMBL					Assay Description Binding affinity to human recombinant PR by competition ligand binding fluorescence polarization assay				Bioorg Med Chem Lett 21: 137-40 (2010) Article DOI: 10.1016/j.bmcl.2010.11.054 BindingDB Entry DOI: 10.7270/Q2FN17F9
					More data for this Ligand-Target Pair