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BDBM50075148 (E)-N-[(S)-1-(5-Methyl-4-oxo-4H-thieno[2,3-d][1,3]oxazin-2-yl)-ethyl]-3-(1-methyl-1H-pyrrol-2-yl)-acrylamide::CHEMBL138479

SMILES: C[C@H](NC(=O)\C=C\c1cccn1C)c1nc2scc(C)c2c(=O)o1

InChI Key: InChIKey=KCYKLHNWERQWPY-MLRMMBSGSA-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 = 50075148   
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 2 protease


(Human herpesvirus 2 (strain HG52) (HHV-2) (Human h...)
BDBM50075148
PNG
((E)-N-[(S)-1-(5-Methyl-4-oxo-4H-thieno[2,3-d][1,3]...)
Show SMILES C[C@H](NC(=O)\C=C\c1cccn1C)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C17H17N3O3S/c1-10-9-24-16-14(10)17(22)23-15(19-16)11(2)18-13(21)7-6-12-5-4-8-20(12)3/h4-9,11H,1-3H3,(H,18,21)/b7-6+/t11-/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.00E+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 4 protease/capsid scaffold protein


(Epstein-Barr virus (strain B95-8) (HHV-4) (Human h...)
BDBM50075148
PNG
((E)-N-[(S)-1-(5-Methyl-4-oxo-4H-thieno[2,3-d][1,3]...)
Show SMILES C[C@H](NC(=O)\C=C\c1cccn1C)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C17H17N3O3S/c1-10-9-24-16-14(10)17(22)23-15(19-16)11(2)18-13(21)7-6-12-5-4-8-20(12)3/h4-9,11H,1-3H3,(H,18,21)/b7-6+/t11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 220n/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 6 protease


(Human herpesvirus 6A (strain Uganda-1102) (HHV-6 v...)
BDBM50075148
PNG
((E)-N-[(S)-1-(5-Methyl-4-oxo-4H-thieno[2,3-d][1,3]...)
Show SMILES C[C@H](NC(=O)\C=C\c1cccn1C)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C17H17N3O3S/c1-10-9-24-16-14(10)17(22)23-15(19-16)11(2)18-13(21)7-6-12-5-4-8-20(12)3/h4-9,11H,1-3H3,(H,18,21)/b7-6+/t11-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 29n/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