BDBM50298036 CHEMBL549725::rac 2-((4-cyano-3-(trifluoromethyl)phenyl)(2,2,2-trifluoroethyl)amino)-N,N-dimethylacetamide

SMILES: CC(N(CC(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F)C(=O)N(C)C

InChI Key: InChIKey=BEFAEFLFXOZVJY-UHFFFAOYSA-N

Data: 5 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 6 hits for monomerid = 50298036   

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))	BDBM50298036 (CHEMBL549725 | rac 2-((4-cyano-3-(trifluoromethyl)...) Show SMILES CC(N(CC(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F)C(=O)N(C)C Show InChI InChI=1S/C15H15F6N3O/c1-9(13(25)23(2)3)24(8-14(16,17)18)11-5-4-10(7-22)12(6-11)15(19,20)21/h4-6,9H,8H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	125	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				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM50298036 (CHEMBL549725 | rac 2-((4-cyano-3-(trifluoromethyl)...) Show SMILES CC(N(CC(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F)C(=O)N(C)C Show InChI InChI=1S/C15H15F6N3O/c1-9(13(25)23(2)3)24(8-14(16,17)18)11-5-4-10(7-22)12(6-11)15(19,20)21/h4-6,9H,8H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	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				3D Structure (crystal)
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50298036 (CHEMBL549725 | rac 2-((4-cyano-3-(trifluoromethyl)...) Show SMILES CC(N(CC(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F)C(=O)N(C)C Show InChI InChI=1S/C15H15F6N3O/c1-9(13(25)23(2)3)24(8-14(16,17)18)11-5-4-10(7-22)12(6-11)15(19,20)21/h4-6,9H,8H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to MR 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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50298036 (CHEMBL549725 | rac 2-((4-cyano-3-(trifluoromethyl)...) Show SMILES CC(N(CC(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F)C(=O)N(C)C Show InChI InChI=1S/C15H15F6N3O/c1-9(13(25)23(2)3)24(8-14(16,17)18)11-5-4-10(7-22)12(6-11)15(19,20)21/h4-6,9H,8H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to ERbeta 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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50298036 (CHEMBL549725 | rac 2-((4-cyano-3-(trifluoromethyl)...) Show SMILES CC(N(CC(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F)C(=O)N(C)C Show InChI InChI=1S/C15H15F6N3O/c1-9(13(25)23(2)3)24(8-14(16,17)18)11-5-4-10(7-22)12(6-11)15(19,20)21/h4-6,9H,8H2,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to GR 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
Androgen Receptor (Homo sapiens (Human))	BDBM50298036 (CHEMBL549725 | rac 2-((4-cyano-3-(trifluoromethyl)...) Show SMILES CC(N(CC(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F)C(=O)N(C)C Show InChI InChI=1S/C15H15F6N3O/c1-9(13(25)23(2)3)24(8-14(16,17)18)11-5-4-10(7-22)12(6-11)15(19,20)21/h4-6,9H,8H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to AR 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