BindingDB PrimarySearch

BDBM50319612 (R)-(+)-4-[4,4-Dimethyl-1-(4-methylsulfanyl-benzyl)-2-oxo-pyrrolidin-3-yloxy]-2-trifluoromethylbenzonitril::CHEMBL1084843

SMILES: CSc1ccc(CN2CC(C)(C)[C@@H](Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)cc1

InChI Key: InChIKey=MFUPVAJJYYGPPT-IBGZPJMESA-N

Data: 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50319612
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Progesterone receptor (Homo sapiens (Human))	BDBM50319612 ((R)-(+)-4-[4,4-Dimethyl-1-(4-methylsulfanyl-benzyl...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Binding affinity to progesterone receptor by PRB assay				J Med Chem 53: 4422-7 (2010) Article DOI: 10.1021/jm9018004 BindingDB Entry DOI: 10.7270/Q2DV1K1T
Pfizer Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50319612 ((R)-(+)-4-[4,4-Dimethyl-1-(4-methylsulfanyl-benzyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in human MDA-MB-453 cells coexpressing MMTV-ARE reporter gene assessed as inhibition of DHT-induced response				J Med Chem 53: 4422-7 (2010) Article DOI: 10.1021/jm9018004 BindingDB Entry DOI: 10.7270/Q2DV1K1T
Pfizer Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50319612 ((R)-(+)-4-[4,4-Dimethyl-1-(4-methylsulfanyl-benzyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human AR expressed in baculovirus Sf9 cells system by scintillation counting				J Med Chem 53: 4422-7 (2010) Article DOI: 10.1021/jm9018004 BindingDB Entry DOI: 10.7270/Q2DV1K1T
Pfizer Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50319612 ((R)-(+)-4-[4,4-Dimethyl-1-(4-methylsulfanyl-benzyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
Pfizer Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50319612 ((R)-(+)-4-[4,4-Dimethyl-1-(4-methylsulfanyl-benzyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
Pfizer Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50319612 ((R)-(+)-4-[4,4-Dimethyl-1-(4-methylsulfanyl-benzyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
Pfizer Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50319612 ((R)-(+)-4-[4,4-Dimethyl-1-(4-methylsulfanyl-benzyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
Pfizer Inc Curated by ChEMBL					More data for this Ligand-Target Pair