BDBM18170 4-{7-hydroxy-1,3-dioxo-hexahydro-1H-pyrrolo[1,2-a]imidazolidin-2-yl}naphthalene-1-carbonitrile::N-aryl-bicyclic hydantoin, (+/-)10b
SMILES: OC1CCn2c1c(O)n(-c1ccc(C#N)c3ccccc13)c2=O
InChI Key: InChIKey=KCKSSZPSWNJGCS-UHFFFAOYSA-N
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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)) | BDBM18170 (4-{7-hydroxy-1,3-dioxo-hexahydro-1H-pyrrolo[1,2-a]...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 5.5 | -11.1 | n/a | n/a | 6.30 | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Company | Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E... | J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9 | |||||||||||
More data for this Ligand-Target Pair |