BDBM50304983 (S)-4-((1-acetylpyrrolidin-3-yl)(2-(trifluoromethyl)benzyl)amino)-2-chlorobenzonitrile::CHEMBL590611

SMILES: CC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1

InChI Key: InChIKey=JRMYTEMFHGPYNN-SFHVURJKSA-N

Data: 3 IC50  1 EC50

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 = 50304983   

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))	BDBM50304983 ((S)-4-((1-acetylpyrrolidin-3-yl)(2-(trifluoromethy...) Show SMILES CC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C21H19ClF3N3O/c1-14(29)27-9-8-18(13-27)28(17-7-6-15(11-26)20(22)10-17)12-16-4-2-3-5-19(16)21(23,24)25/h2-7,10,18H,8-9,12-13H2,1H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at PR in human T47D cells				Bioorg Med Chem Lett 20: 371-4 (2010) Article DOI: 10.1016/j.bmcl.2009.10.092 BindingDB Entry DOI: 10.7270/Q2057G17
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50304983 ((S)-4-((1-acetylpyrrolidin-3-yl)(2-(trifluoromethy...) Show SMILES CC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C21H19ClF3N3O/c1-14(29)27-9-8-18(13-27)28(17-7-6-15(11-26)20(22)10-17)12-16-4-2-3-5-19(16)21(23,24)25/h2-7,10,18H,8-9,12-13H2,1H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 20: 371-4 (2010) Article DOI: 10.1016/j.bmcl.2009.10.092 BindingDB Entry DOI: 10.7270/Q2057G17
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50304983 ((S)-4-((1-acetylpyrrolidin-3-yl)(2-(trifluoromethy...) Show SMILES CC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C21H19ClF3N3O/c1-14(29)27-9-8-18(13-27)28(17-7-6-15(11-26)20(22)10-17)12-16-4-2-3-5-19(16)21(23,24)25/h2-7,10,18H,8-9,12-13H2,1H3/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 371-4 (2010) Article DOI: 10.1016/j.bmcl.2009.10.092 BindingDB Entry DOI: 10.7270/Q2057G17
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50304983 ((S)-4-((1-acetylpyrrolidin-3-yl)(2-(trifluoromethy...) Show SMILES CC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C21H19ClF3N3O/c1-14(29)27-9-8-18(13-27)28(17-7-6-15(11-26)20(22)10-17)12-16-4-2-3-5-19(16)21(23,24)25/h2-7,10,18H,8-9,12-13H2,1H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of PR				Bioorg Med Chem Lett 20: 371-4 (2010) Article DOI: 10.1016/j.bmcl.2009.10.092 BindingDB Entry DOI: 10.7270/Q2057G17
					More data for this Ligand-Target Pair