Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 427.5 BDBM50364464

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))	BDBM50364464 (CHEMBL1950693) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc2ocnc2c1 |r,c:18,t:11| Show InChI InChI=1S/C28H29NO3/c1-3-11-28(31)12-10-23-21-7-4-17-13-19(30)6-8-20(17)26(21)22(15-27(23,28)2)18-5-9-25-24(14-18)29-16-32-25/h5,9,13-14,16,21-23,31H,4,6-8,10,12,15H2,1-2H3/t21-,22+,23-,27-,28-/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	45	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at glucocorticoid receptor in human A549 cells assessed as inhibition of dexamethasone-induced transcription at GRE after 24 hrs ...				Bioorg Med Chem Lett 22: 1705-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.110 BindingDB Entry DOI: 10.7270/Q2QF8TB2
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50364464 (CHEMBL1950693) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc2ocnc2c1 |r,c:18,t:11| Show InChI InChI=1S/C28H29NO3/c1-3-11-28(31)12-10-23-21-7-4-17-13-19(30)6-8-20(17)26(21)22(15-27(23,28)2)18-5-9-25-24(14-18)29-16-32-25/h5,9,13-14,16,21-23,31H,4,6-8,10,12,15H2,1-2H3/t21-,22+,23-,27-,28-/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	101	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at progesterone receptor in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity after 2...				Bioorg Med Chem Lett 22: 1705-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.110 BindingDB Entry DOI: 10.7270/Q2QF8TB2
					More data for this Ligand-Target Pair