Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 306.3 BDBM50121167

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

Found 3 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))	BDBM50121167 (5-fluoro-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane...) Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=O)C3(CCCC3)c2c1)C#N Show InChI InChI=1S/C19H15FN2O/c20-15-8-12(11-21)7-14(9-15)13-3-4-17-16(10-13)19(18(23)22-17)5-1-2-6-19/h3-4,7-10H,1-2,5-6H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50121167 (5-fluoro-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane...) Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=O)C3(CCCC3)c2c1)C#N Show InChI InChI=1S/C19H15FN2O/c20-15-8-12(11-21)7-14(9-15)13-3-4-17-16(10-13)19(18(23)22-17)5-1-2-6-19/h3-4,7-10H,1-2,5-6H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Progesterone receptor antagonist activity based on its ability to block progesterone induced alkaline phosphatase in the human breast cancer cell lin...				Bioorg Med Chem Lett 12: 3487-90 (2002) BindingDB Entry DOI: 10.7270/Q2R210RC
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50121167 (5-fluoro-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane...) Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=O)C3(CCCC3)c2c1)C#N Show InChI InChI=1S/C19H15FN2O/c20-15-8-12(11-21)7-14(9-15)13-3-4-17-16(10-13)19(18(23)22-17)5-1-2-6-19/h3-4,7-10H,1-2,5-6H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of 3 nM [3H]-R5020 binding to progesterone receptor of human T47D cell cytosol				Bioorg Med Chem Lett 12: 3487-90 (2002) BindingDB Entry DOI: 10.7270/Q2R210RC
					More data for this Ligand-Target Pair