BDBM18174 4-[(7R,7aR)-7-hydroxy-3-oxo-hexahydro-1H-pyrrolo[1,2-a]imidazolidin-2-yl]-2-chloro-3-methylbenzonitrile::JMC522794 Compound 2::imidazolin-2-one, 8
SMILES: [H][C@]12CN(C(=O)N1CC[C@H]2O)c1ccc(C#N)c(Cl)c1C
InChI Key: InChIKey=INWVYYLEFLPGMU-VXGBXAGGSA-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)) | BDBM18174 (4-[(7R,7aR)-7-hydroxy-3-oxo-hexahydro-1H-pyrrolo[1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 2 | -11.7 | n/a | n/a | 15 | 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)) | BDBM18174 (4-[(7R,7aR)-7-hydroxy-3-oxo-hexahydro-1H-pyrrolo[1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 6 | -11.1 | n/a | n/a | 6.40 | 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 |