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SMILES: COc1cccc(c1)C(=O)\C=C\C(=O)N[C@@H](C)c1nc2scc(C)c2c(=O)o1

InChI Key: InChIKey=OOULXVFUPPJNIJ-GUOLPTJISA-N

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 = 50075173   
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
Genome polyprotein


(Human rhinovirus B)
BDBM50075173
PNG
((E)-4-(3-Methoxy-phenyl)-4-oxo-but-2-enoic acid [(...)
Show SMILES COc1cccc(c1)C(=O)\C=C\C(=O)N[C@@H](C)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C20H18N2O5S/c1-11-10-28-19-17(11)20(25)27-18(22-19)12(2)21-16(24)8-7-15(23)13-5-4-6-14(9-13)26-3/h4-10,12H,1-3H3,(H,21,24)/b8-7+/t12-/m0/s1
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 340n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against varicella zoster virus (VZV) protease


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 2 (strain HG52) (HHV-2) (Human h...)
BDBM50075173
PNG
((E)-4-(3-Methoxy-phenyl)-4-oxo-but-2-enoic acid [(...)
Show SMILES COc1cccc(c1)C(=O)\C=C\C(=O)N[C@@H](C)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C20H18N2O5S/c1-11-10-28-19-17(11)20(25)27-18(22-19)12(2)21-16(24)8-7-15(23)13-5-4-6-14(9-13)26-3/h4-10,12H,1-3H3,(H,21,24)/b8-7+/t12-/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 680n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus protease (HSV-2)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075173
PNG
((E)-4-(3-Methoxy-phenyl)-4-oxo-but-2-enoic acid [(...)
Show SMILES COc1cccc(c1)C(=O)\C=C\C(=O)N[C@@H](C)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C20H18N2O5S/c1-11-10-28-19-17(11)20(25)27-18(22-19)12(2)21-16(24)8-7-15(23)13-5-4-6-14(9-13)26-3/h4-10,12H,1-3H3,(H,21,24)/b8-7+/t12-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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 cytomegalovirus protease (CMV)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair