BDBM50118696 5-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-2-fluoro-benzonitrile::5-(4,4-dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-yl)-2-fluorobenzonitrile::CHEMBL136721

SMILES: CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(F)c(c1)C#N

InChI Key: InChIKey=QYXWQJJMCRIUKE-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50118696   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Progesterone receptor (Homo sapiens (Human))	BDBM50118696 (5-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...) Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(F)c(c1)C#N Show InChI InChI=1S/C17H13FN2O2/c1-17(2)13-8-11(4-6-15(13)20-16(21)22-17)10-3-5-14(18)12(7-10)9-19/h3-8H,1-2H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Women's Health Research Institute Curated by ChEMBL					Assay Description Inhibition of human progesterone receptor				J Med Chem 48: 5092-5 (2005) Article DOI: 10.1021/jm050358b BindingDB Entry DOI: 10.7270/Q2FF3RXG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50118696 (5-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...) Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(F)c(c1)C#N Show InChI InChI=1S/C17H13FN2O2/c1-17(2)13-8-11(4-6-15(13)20-16(21)22-17)10-3-5-14(18)12(7-10)9-19/h3-8H,1-2H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	55	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))	BDBM50118696 (5-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...) Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(F)c(c1)C#N Show InChI InChI=1S/C17H13FN2O2/c1-17(2)13-8-11(4-6-15(13)20-16(21)22-17)10-3-5-14(18)12(7-10)9-19/h3-8H,1-2H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15.1	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 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
Progesterone receptor (Homo sapiens (Human))	BDBM50118696 (5-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...) Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(F)c(c1)C#N Show InChI InChI=1S/C17H13FN2O2/c1-17(2)13-8-11(4-6-15(13)20-16(21)22-17)10-3-5-14(18)12(7-10)9-19/h3-8H,1-2H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15.1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Antagonist activity at progesterone receptor expressed in T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity				Bioorg Med Chem Lett 17: 189-92 (2006) Article DOI: 10.1016/j.bmcl.2006.09.060 BindingDB Entry DOI: 10.7270/Q2D21X85
					More data for this Ligand-Target Pair