BDBM50215718 (2S,3R)-methyl 1-(3-chloro-4-cyano-2-methylphenylsulfonyl)-3-hydroxypyrrolidine-2-carboxylate::CHEMBL234394
SMILES: COC(=O)[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1C
InChI Key: InChIKey=SFJHXIKHAFLZTL-MFKMUULPSA-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)) | BDBM50215718 ((2S,3R)-methyl 1-(3-chloro-4-cyano-2-methylphenyls...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 36 | 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) | BDBM50215718 ((2S,3R)-methyl 1-(3-chloro-4-cyano-2-methylphenyls...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 278 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development Curated by ChEMBL | Assay Description Antagonist 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 | |||||||||||||
Androgen receptor (Mus musculus) | BDBM50215718 ((2S,3R)-methyl 1-(3-chloro-4-cyano-2-methylphenyls...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | n/a | >3.00E+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 |