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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Capsid scaffolding protein' and Ligand = 'BDBM50075170'   
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 cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075170
PNG
((E)-4-(4-Ethoxy-phenyl)-4-oxo-but-2-enoic acid [(S...)
Show SMILES CCOc1ccc(cc1)C(=O)\C=C\C(=O)N[C@@H](C)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C21H20N2O5S/c1-4-27-15-7-5-14(6-8-15)16(24)9-10-17(25)22-13(3)19-23-20-18(21(26)28-19)12(2)11-29-20/h5-11,13H,4H2,1-3H3,(H,22,25)/b10-9+/t13-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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 cytomegalovirus protease (CMV)


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...)
BDBM50075170
PNG
((E)-4-(4-Ethoxy-phenyl)-4-oxo-but-2-enoic acid [(S...)
Show SMILES CCOc1ccc(cc1)C(=O)\C=C\C(=O)N[C@@H](C)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C21H20N2O5S/c1-4-27-15-7-5-14(6-8-15)16(24)9-10-17(25)22-13(3)19-23-20-18(21(26)28-19)12(2)11-29-20/h5-11,13H,4H2,1-3H3,(H,22,25)/b10-9+/t13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.60E+4n/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