BindingDB logo
myBDB logout

BDBM50075166 (E)-3-(2,6-Dichloro-phenyl)-N-[(S)-1-(5-methyl-4-oxo-4H-thieno[2,3-d][1,3]oxazin-2-yl)-ethyl]-acrylamide::CHEMBL140709

SMILES: C[C@H](NC(=O)\C=C\c1c(Cl)cccc1Cl)c1nc2scc(C)c2c(=O)o1

InChI Key: InChIKey=FSPQNQOLUFXHQW-FGEFZZPRSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50075166   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Human herpesvirus 4 protease/capsid scaffold protein


(Epstein-Barr virus (strain B95-8) (HHV-4) (Human h...)
BDBM50075166
PNG
((E)-3-(2,6-Dichloro-phenyl)-N-[(S)-1-(5-methyl-4-o...)
Show SMILES C[C@H](NC(=O)\C=C\c1c(Cl)cccc1Cl)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C18H14Cl2N2O3S/c1-9-8-26-17-15(9)18(24)25-16(22-17)10(2)21-14(23)7-6-11-12(19)4-3-5-13(11)20/h3-8,10H,1-2H3,(H,21,23)/b7-6+/t10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a>3.40E+4n/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
Human herpesvirus 2 protease


(Human herpesvirus 2 (strain HG52) (HHV-2) (Human h...)
BDBM50075166
PNG
((E)-3-(2,6-Dichloro-phenyl)-N-[(S)-1-(5-methyl-4-o...)
Show SMILES C[C@H](NC(=O)\C=C\c1c(Cl)cccc1Cl)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C18H14Cl2N2O3S/c1-9-8-26-17-15(9)18(24)25-16(22-17)10(2)21-14(23)7-6-11-12(19)4-3-5-13(11)20/h3-8,10H,1-2H3,(H,21,23)/b7-6+/t10-/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.97E+3n/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
Human herpesvirus 6 protease


(Human herpesvirus 6A (strain Uganda-1102) (HHV-6 v...)
BDBM50075166
PNG
((E)-3-(2,6-Dichloro-phenyl)-N-[(S)-1-(5-methyl-4-o...)
Show SMILES C[C@H](NC(=O)\C=C\c1c(Cl)cccc1Cl)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C18H14Cl2N2O3S/c1-9-8-26-17-15(9)18(24)25-16(22-17)10(2)21-14(23)7-6-11-12(19)4-3-5-13(11)20/h3-8,10H,1-2H3,(H,21,23)/b7-6+/t10-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 10n/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