Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 284.3 BDBM50118688

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

Found 6 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
Progesterone receptor (Homo sapiens (Human))	BDBM50118688 (4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...) Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1csc(c1)C#N Show InChI InChI=1S/C15H12N2O2S/c1-15(2)12-6-9(10-5-11(7-16)20-8-10)3-4-13(12)17-14(18)19-15/h3-6,8H,1-2H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Women's Health Research Institute Curated by ChEMBL					Assay Description Antagonist activity against progesterone receptor (PR) in an assay using PRE-luciferase plasmid co-transfected CV-1 cells				J Med Chem 45: 4379-82 (2002) BindingDB Entry DOI: 10.7270/Q22F7P5W
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50118688 (4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...) Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1csc(c1)C#N Show InChI InChI=1S/C15H12N2O2S/c1-15(2)12-6-9(10-5-11(7-16)20-8-10)3-4-13(12)17-14(18)19-15/h3-6,8H,1-2H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Women's Health Research Institute Curated by ChEMBL					Assay Description Antagonist activity against the Progesterone Receptor (PR)				J Med Chem 45: 4379-82 (2002) BindingDB Entry DOI: 10.7270/Q22F7P5W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50118688 (4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...) Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1csc(c1)C#N Show InChI InChI=1S/C15H12N2O2S/c1-15(2)12-6-9(10-5-11(7-16)20-8-10)3-4-13(12)17-14(18)19-15/h3-6,8H,1-2H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Women's Health Research Institute Curated by ChEMBL					Assay Description Antagonist activity against the Androgen Receptor (AR)				J Med Chem 45: 4379-82 (2002) BindingDB Entry DOI: 10.7270/Q22F7P5W
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50118688 (4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...) Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1csc(c1)C#N Show InChI InChI=1S/C15H12N2O2S/c1-15(2)12-6-9(10-5-11(7-16)20-8-10)3-4-13(12)17-14(18)19-15/h3-6,8H,1-2H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Women's Health Research Institute Curated by ChEMBL					Assay Description Antagonist activity against the Mineralocorticoid Receptor (MR)				J Med Chem 45: 4379-82 (2002) BindingDB Entry DOI: 10.7270/Q22F7P5W
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50118688 (4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...) Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1csc(c1)C#N Show InChI InChI=1S/C15H12N2O2S/c1-15(2)12-6-9(10-5-11(7-16)20-8-10)3-4-13(12)17-14(18)19-15/h3-6,8H,1-2H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Women's Health Research Institute Curated by ChEMBL					Assay Description Antagonist activity against the Glucocorticoid Receptor (GR)				J Med Chem 45: 4379-82 (2002) BindingDB Entry DOI: 10.7270/Q22F7P5W
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50118688 (4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...) Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1csc(c1)C#N Show InChI InChI=1S/C15H12N2O2S/c1-15(2)12-6-9(10-5-11(7-16)20-8-10)3-4-13(12)17-14(18)19-15/h3-6,8H,1-2H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	61.1	n/a	n/a	n/a	n/a
Women's Health Research Institute Curated by ChEMBL					Assay Description Agonist activity against progesterone receptor (PR) in an alkaline phosphatase assay in the T47D human breast carcinoma cell line				J Med Chem 45: 4379-82 (2002) BindingDB Entry DOI: 10.7270/Q22F7P5W
					More data for this Ligand-Target Pair