Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 331.8 BDBM50298040

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
Progesterone receptor (Homo sapiens (Human))	BDBM50298040 ((S)-2-chloro-4-((cyclohexylmethyl)(1-methylpyrroli...) Show SMILES CN1CC[C@@H](C1)N(CC1CCCCC1)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H26ClN3/c1-22-10-9-18(14-22)23(13-15-5-3-2-4-6-15)17-8-7-16(12-21)19(20)11-17/h7-8,11,15,18H,2-6,9-10,13-14H2,1H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to PR by fluorescence polarization based competition binding assay				Bioorg Med Chem Lett 19: 4777-80 (2009) Article DOI: 10.1016/j.bmcl.2009.06.055 BindingDB Entry DOI: 10.7270/Q2TB16XG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50298040 ((S)-2-chloro-4-((cyclohexylmethyl)(1-methylpyrroli...) Show SMILES CN1CC[C@@H](C1)N(CC1CCCCC1)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H26ClN3/c1-22-10-9-18(14-22)23(13-15-5-3-2-4-6-15)17-8-7-16(12-21)19(20)11-17/h7-8,11,15,18H,2-6,9-10,13-14H2,1H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at PR expressed in african green monkey CV-1 cells by luciferase reporter assay				Bioorg Med Chem Lett 19: 4777-80 (2009) Article DOI: 10.1016/j.bmcl.2009.06.055 BindingDB Entry DOI: 10.7270/Q2TB16XG
					More data for this Ligand-Target Pair