BDBM50205098 4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrrolo[1,2-e]imidazol-2(3H)-yl)-2,3-dimethylbenzonitrile::CHEMBL389607
SMILES: Cc1c(C)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O
InChI Key: InChIKey=JVKADVPZKSPTFS-GFCCVEGCSA-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)) | BDBM50205098 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding affinity to human AR | Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50205098 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Agonist activity at human AR | Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 | |||||||||||
More data for this Ligand-Target Pair |