Reaction Details Report a problem with these data
Target
Tegument protein VP16
Ligand
BDBM100219
Substrate
n/a
Meas. Tech.
Counterscreen for inhibitors of COUP-TFII (NR2F2): Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Herpes Virus Virion Protein 16 (VP16)
IC50
85395±n/a nM
Citation
 PubChem, PC Counterscreen for inhibitors of COUP-TFII (NR2F2): Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Herpes Virus Virion Protein 16 (VP16) PubChem Bioassay (2013)[AID] 
Target
Name:
Tegument protein VP16
Synonyms:
Alpha trans-inducing protein (VP16) | VP16_HHV11 | transactivating tegument protein VP16
Type:
PROTEIN
Mol. Mass.:
54325.13
Organism:
Human herpesvirus 1 (strain 17) (HHV-1) (Human herpes simplex virus1)
Description:
EBI_100271
Residue:
490
Sequence:
MDLLVDELFADMNADGASPPPPRPAGGPKNTPAAPPLYATGRLSQAQLMPSPPMPVPPAALFNRLLDDLGFSAGPALCTMLDTWNEDLFSALPTNADLYRECKFLSTLPSDVVEWGDAYVPERTQIDIRAHGDVAFPTLPATRDGLGLYYEALSRFFHAELRAREESYRTVLANFCSALYRYLRASVRQLHRQAHMRGRDRDLGEMLRATIADRYYRETARLARVLFLHLYLFLTREILWAAYAEQMMRPDLFDCLCCDLESWRQLAGLFQPFMFVNGALTVRGVPIEARRLRELNHIREHLNLPLVRSAATEEPGAPLTTPPTLHGNQARASGYFMVLIRAKLDSYSSFTTSPSEAVMREHAYSRARTKNNYGSTIEGLLDLPDDDAPEEAGLAAPRLSFLPAGHTRRLSTAPPTDVSLGDELHLDGEDVAMAHADALDDFDLDMLGDGDSPGPGFTPHDSAPYGALDMADFEFEQMFTDALGIDEYGG
  
Inhibitor
Name:
BDBM100219
Synonyms:
MLS000733369 | N-cyclooctyl-5-(6-quinolinyloxymethyl)-3-isoxazolecarboxamide | N-cyclooctyl-5-(6-quinolyloxymethyl)isoxazole-3-carboxamide | N-cyclooctyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide | N-cyclooctyl-5-[(quinolin-6-yloxy)methyl]isoxazole-3-carboxamide | SMR000315956 | cid_16189691
Type:
Small organic molecule
Emp. Form.:
C22H25N3O3
Mol. Mass.:
379.4522
SMILES:
O=C(NC1CCCCCCC1)c1cc(COc2ccc3ncccc3c2)on1
Structure:
Search PDB for entries with ligand similarity: