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BDBM50075163 (E)-N-[(S)-1-(5-Methyl-4-oxo-4H-thieno[2,3-d][1,3]oxazin-2-yl)-ethyl]-3-phenyl-3-thiophen-2-yl-acrylamide::CHEMBL138320

SMILES: C[C@H](NC(=O)\C=C(\c1cccs1)c1ccccc1)c1nc2scc(C)c2c(=O)o1

InChI Key: InChIKey=ZTAFVQVUYGQIRT-LUYJPIOASA-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 = 50075163   
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...)
BDBM50075163
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(\c1cccs1)c1ccccc1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C22H18N2O3S2/c1-13-12-29-21-19(13)22(26)27-20(24-21)14(2)23-18(25)11-16(17-9-6-10-28-17)15-7-4-3-5-8-15/h3-12,14H,1-2H3,(H,23,25)/b16-11+/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 300n/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...)
BDBM50075163
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(\c1cccs1)c1ccccc1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C22H18N2O3S2/c1-13-12-29-21-19(13)22(26)27-20(24-21)14(2)23-18(25)11-16(17-9-6-10-28-17)15-7-4-3-5-8-15/h3-12,14H,1-2H3,(H,23,25)/b16-11+/t14-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 16n/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
Human herpesvirus 2 protease


(Human herpesvirus 2 (strain HG52) (HHV-2) (Human h...)
BDBM50075163
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(\c1cccs1)c1ccccc1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C22H18N2O3S2/c1-13-12-29-21-19(13)22(26)27-20(24-21)14(2)23-18(25)11-16(17-9-6-10-28-17)15-7-4-3-5-8-15/h3-12,14H,1-2H3,(H,23,25)/b16-11+/t14-/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 260n/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