BDBM50304963 2-chloro-4-((2,5-dichlorobenzyl)((S)-1-((S)-2-hydroxypropanoyl)pyrrolidin-3-yl)amino)benzonitrile::CHEMBL590593

SMILES: C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1

InChI Key: InChIKey=CMZXSMVOPYKKIR-UGSOOPFHSA-N

Data: 4 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 5 hits for monomerid = 50304963   

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))	BDBM50304963 (2-chloro-4-((2,5-dichlorobenzyl)((S)-1-((S)-2-hydr...) Show SMILES C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C21H20Cl3N3O2/c1-13(28)21(29)26-7-6-18(12-26)27(11-15-8-16(22)3-5-19(15)23)17-4-2-14(10-25)20(24)9-17/h2-5,8-9,13,18,28H,6-7,11-12H2,1H3/t13-,18-/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	50	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50304963 (2-chloro-4-((2,5-dichlorobenzyl)((S)-1-((S)-2-hydr...) Show SMILES C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C21H20Cl3N3O2/c1-13(28)21(29)26-7-6-18(12-26)27(11-15-8-16(22)3-5-19(15)23)17-4-2-14(10-25)20(24)9-17/h2-5,8-9,13,18,28H,6-7,11-12H2,1H3/t13-,18-/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	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp technique				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))	BDBM50304963 (2-chloro-4-((2,5-dichlorobenzyl)((S)-1-((S)-2-hydr...) Show SMILES C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C21H20Cl3N3O2/c1-13(28)21(29)26-7-6-18(12-26)27(11-15-8-16(22)3-5-19(15)23)17-4-2-14(10-25)20(24)9-17/h2-5,8-9,13,18,28H,6-7,11-12H2,1H3/t13-,18-/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	7.90E+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))	BDBM50304963 (2-chloro-4-((2,5-dichlorobenzyl)((S)-1-((S)-2-hydr...) Show SMILES C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C21H20Cl3N3O2/c1-13(28)21(29)26-7-6-18(12-26)27(11-15-8-16(22)3-5-19(15)23)17-4-2-14(10-25)20(24)9-17/h2-5,8-9,13,18,28H,6-7,11-12H2,1H3/t13-,18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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))	BDBM50304963 (2-chloro-4-((2,5-dichlorobenzyl)((S)-1-((S)-2-hydr...) Show SMILES C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C21H20Cl3N3O2/c1-13(28)21(29)26-7-6-18(12-26)27(11-15-8-16(22)3-5-19(15)23)17-4-2-14(10-25)20(24)9-17/h2-5,8-9,13,18,28H,6-7,11-12H2,1H3/t13-,18-/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	341	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