BDBM50215712 2-chloro-4-((3aS,4S)-4-hydroxy-1,1,3-trioxo-tetrahydro-1lambda6-thia-2,6a-diaza-pentalen-2-yl)-3-methyl-benzonitrile::CHEMBL233774
SMILES: Cc1c(Cl)c(ccc1N1C(=O)[C@@H]2[C@@H](O)CCN2S1(=O)=O)C#N
InChI Key: InChIKey=HUVHMQXDGTUBFP-JQWIXIFHSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Androgen Receptor (Homo sapiens (Human)) | BDBM50215712 (2-chloro-4-((3aS,4S)-4-hydroxy-1,1,3-trioxo-tetrah...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development Curated by ChEMBL | Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells | Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Mus musculus) | BDBM50215712 (2-chloro-4-((3aS,4S)-4-hydroxy-1,1,3-trioxo-tetrah...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.96E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development Curated by ChEMBL | Assay Description Agonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay | Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9 | |||||||||||
More data for this Ligand-Target Pair |