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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'DNA polymerase catalytic subunit' and Ligand = 'BDBM50172526'   
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
DNA polymerase catalytic subunit


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50172526
PNG
(1-Methyl-6-morpholin-4-ylmethyl-4-oxo-1,4-dihydro-...)
Show SMILES Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN3CCOCC3)ccc12
Show InChI InChI=1S/C23H24ClN3O3/c1-26-15-20(23(29)25-13-16-2-5-18(24)6-3-16)22(28)19-12-17(4-7-21(19)26)14-27-8-10-30-11-9-27/h2-7,12,15H,8-11,13-14H2,1H3,(H,25,29)
UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 370n/an/an/an/a7.5n/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of Varicella-Zoster virus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 ...


J Med Chem 48: 5794-804 (2005)


Article DOI: 10.1021/jm050162b
BindingDB Entry DOI: 10.7270/Q2G44R39
More data for this
Ligand-Target Pair
DNA polymerase catalytic subunit


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50172526
PNG
(1-Methyl-6-morpholin-4-ylmethyl-4-oxo-1,4-dihydro-...)
Show SMILES Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN3CCOCC3)ccc12
Show InChI InChI=1S/C23H24ClN3O3/c1-26-15-20(23(29)25-13-16-2-5-18(24)6-3-16)22(28)19-12-17(4-7-21(19)26)14-27-8-10-30-11-9-27/h2-7,12,15H,8-11,13-14H2,1H3,(H,25,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PDB
Article
PubMed
n/an/a 600n/an/an/an/a7.5n/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of herpes simplex virus type 1 DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes a...


J Med Chem 48: 5794-804 (2005)


Article DOI: 10.1021/jm050162b
BindingDB Entry DOI: 10.7270/Q2G44R39
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase catalytic subunit


(Human cytomegalovirus (HCMV strain AD169) )
BDBM50172526
PNG
(1-Methyl-6-morpholin-4-ylmethyl-4-oxo-1,4-dihydro-...)
Show SMILES Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN3CCOCC3)ccc12
Show InChI InChI=1S/C23H24ClN3O3/c1-26-15-20(23(29)25-13-16-2-5-18(24)6-3-16)22(28)19-12-17(4-7-21(19)26)14-27-8-10-30-11-9-27/h2-7,12,15H,8-11,13-14H2,1H3,(H,25,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 700n/an/an/an/a7.5n/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...


J Med Chem 48: 5794-804 (2005)


Article DOI: 10.1021/jm050162b
BindingDB Entry DOI: 10.7270/Q2G44R39
More data for this
Ligand-Target Pair
DNA polymerase catalytic subunit


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50172526
PNG
(1-Methyl-6-morpholin-4-ylmethyl-4-oxo-1,4-dihydro-...)
Show SMILES Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN3CCOCC3)ccc12
Show InChI InChI=1S/C23H24ClN3O3/c1-26-15-20(23(29)25-13-16-2-5-18(24)6-3-16)22(28)19-12-17(4-7-21(19)26)14-27-8-10-30-11-9-27/h2-7,12,15H,8-11,13-14H2,1H3,(H,25,29)
UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a>4.00E+4n/an/an/an/a7.5n/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of Varicella-Zoster virus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 ...


J Med Chem 48: 5794-804 (2005)


Article DOI: 10.1021/jm050162b
BindingDB Entry DOI: 10.7270/Q2G44R39
More data for this
Ligand-Target Pair