BDBM18522 6-(1-Pyrrolidine)quinolin-2(1H)-one, 6a::6-[(2R,5R)-2-methyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one::CHEMBL467888::LGD2941
SMILES: C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
InChI Key: InChIKey=HWLLYFXDDGGHOE-BCSUUIJWSA-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)) | BDBM18522 (6-(1-Pyrrolidine)quinolin-2(1H)-one, 6a | 6-[(2R,5...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid UniChem Similars | Article PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GTx, Inc. Curated by ChEMBL | Assay Description Agonist activity at androgen receptor (unknown origin) | J Med Chem 52: 3597-617 (2009) Article DOI: 10.1021/jm900280m BindingDB Entry DOI: 10.7270/Q2GH9HWD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM18522 (6-(1-Pyrrolidine)quinolin-2(1H)-one, 6a | 6-[(2R,5...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid UniChem Similars | Article PubMed | 1.5 | -12.5 | n/a | n/a | 7.10 | n/a | n/a | 7.4 | 37 |
Ligand Pharmaceuticals Inc. | Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece... | J Med Chem 50: 5049-52 (2007) Article DOI: 10.1021/jm070231h BindingDB Entry DOI: 10.7270/Q29Z935Z | |||||||||||
More data for this Ligand-Target Pair |