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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 384.8
BDBM50091990

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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


(Human herpesvirus 6A (strain Uganda-1102) (HHV-6 v...)
BDBM50091990
PNG
(3-Hydroxy-7-methoxy-naphthalene-2-carboxylic acid ...)
Show SMILES COc1ccc2cc(O)c(cc2c1)C(=O)Nc1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C19H13ClN2O3S/c1-25-12-6-5-10-9-15(23)13(8-11(10)7-12)18(24)22-19-21-17-14(20)3-2-4-16(17)26-19/h2-9,23H,1H3,(H,21,22,24)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.40E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Cytomegalovirus (HCMV) polymerase


Bioorg Med Chem Lett 10: 2079-81 (2000)


BindingDB Entry DOI: 10.7270/Q2222T0M
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50091990
PNG
(3-Hydroxy-7-methoxy-naphthalene-2-carboxylic acid ...)
Show SMILES COc1ccc2cc(O)c(cc2c1)C(=O)Nc1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C19H13ClN2O3S/c1-25-12-6-5-10-9-15(23)13(8-11(10)7-12)18(24)22-19-21-17-14(20)3-2-4-16(17)26-19/h2-9,23H,1H3,(H,21,22,24)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 9.30E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Human alpha polymerase


Bioorg Med Chem Lett 10: 2079-81 (2000)


BindingDB Entry DOI: 10.7270/Q2222T0M
More data for this
Ligand-Target Pair