BDBM50304961 2-chloro-4-(((S)-1-((S)-2-hydroxypropanoyl)pyrrolidin-3-yl)(2-methylbenzyl)amino)benzonitrile::CHEMBL600466

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

InChI Key: InChIKey=WEGADTMKEWZTLK-JXFKEZNVSA-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 = 50304961   

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))	BDBM50304961 (2-chloro-4-(((S)-1-((S)-2-hydroxypropanoyl)pyrroli...) Show SMILES C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C22H24ClN3O2/c1-15-5-3-4-6-18(15)13-26(19-8-7-17(12-24)21(23)11-19)20-9-10-25(14-20)22(28)16(2)27/h3-8,11,16,20,27H,9-10,13-14H2,1-2H3/t16-,20-/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	32	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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50304961 (2-chloro-4-(((S)-1-((S)-2-hydroxypropanoyl)pyrroli...) Show SMILES C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C22H24ClN3O2/c1-15-5-3-4-6-18(15)13-26(19-8-7-17(12-24)21(23)11-19)20-9-10-25(14-20)22(28)16(2)27/h3-8,11,16,20,27H,9-10,13-14H2,1-2H3/t16-,20-/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	1.40E+4	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))	BDBM50304961 (2-chloro-4-(((S)-1-((S)-2-hydroxypropanoyl)pyrroli...) Show SMILES C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C22H24ClN3O2/c1-15-5-3-4-6-18(15)13-26(19-8-7-17(12-24)21(23)11-19)20-9-10-25(14-20)22(28)16(2)27/h3-8,11,16,20,27H,9-10,13-14H2,1-2H3/t16-,20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+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))	BDBM50304961 (2-chloro-4-(((S)-1-((S)-2-hydroxypropanoyl)pyrroli...) Show SMILES C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C22H24ClN3O2/c1-15-5-3-4-6-18(15)13-26(19-8-7-17(12-24)21(23)11-19)20-9-10-25(14-20)22(28)16(2)27/h3-8,11,16,20,27H,9-10,13-14H2,1-2H3/t16-,20-/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	3	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