Reaction Details Report a problem with these data
Target
Tegument protein VP16
Ligand
BDBM70705
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
85390±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:
BDBM70705
Synonyms:
2-[(3-Bromo-benzylsulfanyl)-(4-fluoro-phenylamino)-methylene]-malononitrile | 2-[(3-bromophenyl)methylsulfanyl-(4-fluoroanilino)methylidene]propanedinitrile | 2-[(3-bromophenyl)methylsulfanyl-[(4-fluorophenyl)amino]methylidene]propanedinitrile | 2-[[(3-bromobenzyl)thio]-(4-fluoroanilino)methylene]malononitrile | 2-[[(3-bromophenyl)methylthio]-(4-fluoroanilino)methylidene]propanedinitrile | MLS000590962 | SMR000217798 | cid_3741479
Type:
Small organic molecule
Emp. Form.:
C17H11BrFN3S
Mol. Mass.:
388.257
SMILES:
Fc1ccc(cc1)N=C(SCc1cccc(Br)c1)C(C#N)C#N |w:7.7|
Structure:
Search PDB for entries with ligand similarity: