BDBM50304968 (S)-2-chloro-4-((1-(isobutylsulfonyl)pyrrolidin-3-yl)(2-(trifluoromethyl)benzyl)amino)benzonitrile::CHEMBL602851

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

InChI Key: InChIKey=DPXITRVBJLQXDO-FQEVSTJZSA-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 = 50304968   

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))	BDBM50304968 ((S)-2-chloro-4-((1-(isobutylsulfonyl)pyrrolidin-3-...) Show SMILES CC(C)CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C23H25ClF3N3O2S/c1-16(2)15-33(31,32)29-10-9-20(14-29)30(19-8-7-17(12-28)22(24)11-19)13-18-5-3-4-6-21(18)23(25,26)27/h3-8,11,16,20H,9-10,13-15H2,1-2H3/t20-/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	10	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))	BDBM50304968 ((S)-2-chloro-4-((1-(isobutylsulfonyl)pyrrolidin-3-...) Show SMILES CC(C)CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C23H25ClF3N3O2S/c1-16(2)15-33(31,32)29-10-9-20(14-29)30(19-8-7-17(12-28)22(24)11-19)13-18-5-3-4-6-21(18)23(25,26)27/h3-8,11,16,20H,9-10,13-15H2,1-2H3/t20-/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	160	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))	BDBM50304968 ((S)-2-chloro-4-((1-(isobutylsulfonyl)pyrrolidin-3-...) Show SMILES CC(C)CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C23H25ClF3N3O2S/c1-16(2)15-33(31,32)29-10-9-20(14-29)30(19-8-7-17(12-28)22(24)11-19)13-18-5-3-4-6-21(18)23(25,26)27/h3-8,11,16,20H,9-10,13-15H2,1-2H3/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+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))	BDBM50304968 ((S)-2-chloro-4-((1-(isobutylsulfonyl)pyrrolidin-3-...) Show SMILES CC(C)CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C23H25ClF3N3O2S/c1-16(2)15-33(31,32)29-10-9-20(14-29)30(19-8-7-17(12-28)22(24)11-19)13-18-5-3-4-6-21(18)23(25,26)27/h3-8,11,16,20H,9-10,13-15H2,1-2H3/t20-/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	80	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