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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Capsid scaffolding protein' and Ligand = 'BDBM50075143'   
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 6A (strain Uganda-1102) (HHV-6 v...)
BDBM50075143
PNG
((E)-3-(2-Chloro-phenyl)-N-[(S)-1-(5-methyl-4-oxo-4...)
Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1Cl)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C18H15ClN2O3S/c1-10-9-25-17-15(10)18(23)24-16(21-17)11(2)20-14(22)8-7-12-5-3-4-6-13(12)19/h3-9,11H,1-2H3,(H,20,22)/b8-7+/t11-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 35n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Varicella Zoster Virus (VZV) protease was determined using quenched fluorescence assay


Bioorg Med Chem Lett 9: 443-8 (1999)


BindingDB Entry DOI: 10.7270/Q2ZC822V
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Epstein-Barr virus (strain B95-8) (HHV-4) (Human h...)
BDBM50075143
PNG
((E)-3-(2-Chloro-phenyl)-N-[(S)-1-(5-methyl-4-oxo-4...)
Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1Cl)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C18H15ClN2O3S/c1-10-9-25-17-15(10)18(23)24-16(21-17)11(2)20-14(22)8-7-12-5-3-4-6-13(12)19/h3-9,11H,1-2H3,(H,20,22)/b8-7+/t11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 380n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus (CMV) protease was determined using quenched fluorescence assay


Bioorg Med Chem Lett 9: 443-8 (1999)


BindingDB Entry DOI: 10.7270/Q2ZC822V
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 2 (strain HG52) (HHV-2) (Human h...)
BDBM50075143
PNG
((E)-3-(2-Chloro-phenyl)-N-[(S)-1-(5-methyl-4-oxo-4...)
Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1Cl)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C18H15ClN2O3S/c1-10-9-25-17-15(10)18(23)24-16(21-17)11(2)20-14(22)8-7-12-5-3-4-6-13(12)19/h3-9,11H,1-2H3,(H,20,22)/b8-7+/t11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 610n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus type 2 (HSV-2) protease was determined using quenched fluorescence assay


Bioorg Med Chem Lett 9: 443-8 (1999)


BindingDB Entry DOI: 10.7270/Q2ZC822V
More data for this
Ligand-Target Pair