BDBM50304972 (S)-2-chloro-4-((2-chlorobenzyl)(1-(methylsulfonyl)pyrrolidin-3-yl)amino)benzonitrile::CHEMBL602745

SMILES: CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1

InChI Key: InChIKey=GOHKIDSTSAUHCB-KRWDZBQOSA-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 = 50304972   

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))	BDBM50304972 ((S)-2-chloro-4-((2-chlorobenzyl)(1-(methylsulfonyl...) Show SMILES CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H19Cl2N3O2S/c1-27(25,26)23-9-8-17(13-23)24(12-15-4-2-3-5-18(15)20)16-7-6-14(11-22)19(21)10-16/h2-7,10,17H,8-9,12-13H2,1H3/t17-/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	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))	BDBM50304972 ((S)-2-chloro-4-((2-chlorobenzyl)(1-(methylsulfonyl...) Show SMILES CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H19Cl2N3O2S/c1-27(25,26)23-9-8-17(13-23)24(12-15-4-2-3-5-18(15)20)16-7-6-14(11-22)19(21)10-16/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	870	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))	BDBM50304972 ((S)-2-chloro-4-((2-chlorobenzyl)(1-(methylsulfonyl...) Show SMILES CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H19Cl2N3O2S/c1-27(25,26)23-9-8-17(13-23)24(12-15-4-2-3-5-18(15)20)16-7-6-14(11-22)19(21)10-16/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+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))	BDBM50304972 ((S)-2-chloro-4-((2-chlorobenzyl)(1-(methylsulfonyl...) Show SMILES CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H19Cl2N3O2S/c1-27(25,26)23-9-8-17(13-23)24(12-15-4-2-3-5-18(15)20)16-7-6-14(11-22)19(21)10-16/h2-7,10,17H,8-9,12-13H2,1H3/t17-/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	6	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