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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 = 'BDBM50172517'   
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...)
BDBM50172517
PNG
(4-Hydroxy-6-(3-hydroxy-propyl)-quinoline-3-carboxy...)
Show SMILES OCCCc1ccc2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1
Show InChI InChI=1S/C20H19ClN2O3/c21-15-6-3-14(4-7-15)11-23-20(26)17-12-22-18-8-5-13(2-1-9-24)10-16(18)19(17)25/h3-8,10,12,24H,1-2,9,11H2,(H,22,25)(H,23,26)
UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 70n/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...)
BDBM50172517
PNG
(4-Hydroxy-6-(3-hydroxy-propyl)-quinoline-3-carboxy...)
Show SMILES OCCCc1ccc2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1
Show InChI InChI=1S/C20H19ClN2O3/c21-15-6-3-14(4-7-15)11-23-20(26)17-12-22-18-8-5-13(2-1-9-24)10-16(18)19(17)25/h3-8,10,12,24H,1-2,9,11H2,(H,22,25)(H,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 300n/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
DNA polymerase catalytic subunit


(Human cytomegalovirus (HCMV strain AD169) )
BDBM50172517
PNG
(4-Hydroxy-6-(3-hydroxy-propyl)-quinoline-3-carboxy...)
Show SMILES OCCCc1ccc2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1
Show InChI InChI=1S/C20H19ClN2O3/c21-15-6-3-14(4-7-15)11-23-20(26)17-12-22-18-8-5-13(2-1-9-24)10-16(18)19(17)25/h3-8,10,12,24H,1-2,9,11H2,(H,22,25)(H,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 400n/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...)
BDBM50172517
PNG
(4-Hydroxy-6-(3-hydroxy-propyl)-quinoline-3-carboxy...)
Show SMILES OCCCc1ccc2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1
Show InChI InChI=1S/C20H19ClN2O3/c21-15-6-3-14(4-7-15)11-23-20(26)17-12-22-18-8-5-13(2-1-9-24)10-16(18)19(17)25/h3-8,10,12,24H,1-2,9,11H2,(H,22,25)(H,23,26)
UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
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