BDBM18176 4-[(1S,7S,7aR)-7-hydroxy-1-methyl-3-oxo-hexahydro-1H-pyrrolo[1,2-a]imidazolidin-2-yl]-2-chloro-3-methylbenzonitrile::JMC522794 Compound 16::imidazolin-2-one, 10a
SMILES: [H][C@@]12[C@@H](O)CCN1C(=O)N([C@H]2C)c1ccc(C#N)c(Cl)c1C
InChI Key: InChIKey=CISLHASSAIGRLX-DUFXMDAXSA-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)) | BDBM18176 (4-[(1S,7S,7aR)-7-hydroxy-1-methyl-3-oxo-hexahydro-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 1.5 | -11.9 | n/a | n/a | 5.20 | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Pharmaceutical Research Institute | 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 50: 3015-3025 (2007) Article DOI: 10.1021/jm070312d BindingDB Entry DOI: 10.7270/Q24F1P1F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM18176 (4-[(1S,7S,7aR)-7-hydroxy-1-methyl-3-oxo-hexahydro-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 1.60 | -11.9 | n/a | n/a | 5.40 | n/a | n/a | 7.6 | 22 |
Bristol-Myers Squibb Company | Assay Description Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB... | J Med Chem 52: 2794-8 (2009) Article DOI: 10.1021/jm801583j BindingDB Entry DOI: 10.7270/Q2W66J30 | |||||||||||
More data for this Ligand-Target Pair |