BDBM50294716 4-((2-chlorobenzyl)(2-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)propyl)amino)-2-chlorobenzonitrile::CHEMBL552156
SMILES: CC(C)C(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nncn1C
InChI Key: InChIKey=BNFIULLBFOWELZ-UHFFFAOYSA-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 |
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Progesterone receptor (Homo sapiens (Human)) | BDBM50294716 (4-((2-chlorobenzyl)(2-methyl-1-(4-methyl-4H-1,2,4-...) | 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 Binding affinity to progesterone receptor ligand binding domain by fluorimetric assay | Bioorg Med Chem Lett 19: 2637-41 (2009) Article DOI: 10.1016/j.bmcl.2009.03.146 BindingDB Entry DOI: 10.7270/Q2FX79GM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50294716 (4-((2-chlorobenzyl)(2-methyl-1-(4-methyl-4H-1,2,4-...) | 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 | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of CYP2C19 | Bioorg Med Chem Lett 19: 2637-41 (2009) Article DOI: 10.1016/j.bmcl.2009.03.146 BindingDB Entry DOI: 10.7270/Q2FX79GM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM50294716 (4-((2-chlorobenzyl)(2-methyl-1-(4-methyl-4H-1,2,4-...) | 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 | 4.70 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Agonist activity at progesterone receptor in human T47D cells by alkaline phosphatase release based reporter gene assay | Bioorg Med Chem Lett 19: 2637-41 (2009) Article DOI: 10.1016/j.bmcl.2009.03.146 BindingDB Entry DOI: 10.7270/Q2FX79GM | |||||||||||
More data for this Ligand-Target Pair |