BDBM50304969 (S)-4-(benzyl(1-(methylsulfonyl)pyrrolidin-3-yl)amino)-2-chlorobenzonitrile::CHEMBL591072
SMILES: CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1)c1ccc(C#N)c(Cl)c1
InChI Key: InChIKey=ZHVWBUHPSWVAML-SFHVURJKSA-N
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)) | BDBM50304969![]() ((S)-4-(benzyl(1-(methylsulfonyl)pyrrolidin-3-yl)am...) | 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 | 843 | 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)) | BDBM50304969![]() ((S)-4-(benzyl(1-(methylsulfonyl)pyrrolidin-3-yl)am...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.40E+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)) | BDBM50304969![]() ((S)-4-(benzyl(1-(methylsulfonyl)pyrrolidin-3-yl)am...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.40E+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)) | BDBM50304969![]() ((S)-4-(benzyl(1-(methylsulfonyl)pyrrolidin-3-yl)am...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 63 | 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 |