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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Capsid scaffolding protein' and Ligand = 'BDBM50288084'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50288084
PNG
(CHEMBL49391 | [(S)-1-(4-Oxo-4H-benzo[d][1,3]oxazin...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C18H16N2O4/c1-12(19-18(22)23-11-13-7-3-2-4-8-13)16-20-15-10-6-5-9-14(15)17(21)24-16/h2-10,12H,11H2,1H3,(H,19,22)/t12-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.


Bioorg Med Chem Lett 7: 1733-1738 (1997)


Article DOI: 10.1016/S0960-894X(97)00300-4
BindingDB Entry DOI: 10.7270/Q23778RS
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50288084
PNG
(CHEMBL49391 | [(S)-1-(4-Oxo-4H-benzo[d][1,3]oxazin...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C18H16N2O4/c1-12(19-18(22)23-11-13-7-3-2-4-8-13)16-20-15-10-6-5-9-14(15)17(21)24-16/h2-10,12H,11H2,1H3,(H,19,22)/t12-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).


Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair