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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'DNA polymerase beta' and Ligand = 'BDBM50250427'   
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 beta


(Rattus norvegicus)
BDBM50250427
PNG
((+)-Myristinin D | CHEMBL448072)
Show SMILES Oc1ccc(cc1)[C@@H]1C[C@H](c2ccc(O)cc2O1)c1c(O)cc(O)c(C(=O)CCCCCCCCc2ccccc2)c1O |r|
Show InChI InChI=1S/C36H38O7/c37-25-16-14-24(15-17-25)32-21-28(27-19-18-26(38)20-33(27)43-32)34-30(40)22-31(41)35(36(34)42)29(39)13-9-4-2-1-3-6-10-23-11-7-5-8-12-23/h5,7-8,11-12,14-20,22,28,32,37-38,40-42H,1-4,6,9-10,13,21H2/t28-,32+/m1/s1
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PC cid
PC sid
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Article
PubMed
1.20E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity of rat recombinant DNA polymerase beta using variable levels of DNA template-primer


J Nat Prod 68: 1625-8 (2005)


Article DOI: 10.1021/np058064g
BindingDB Entry DOI: 10.7270/Q2Q2400B
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50250427
PNG
((+)-Myristinin D | CHEMBL448072)
Show SMILES Oc1ccc(cc1)[C@@H]1C[C@H](c2ccc(O)cc2O1)c1c(O)cc(O)c(C(=O)CCCCCCCCc2ccccc2)c1O |r|
Show InChI InChI=1S/C36H38O7/c37-25-16-14-24(15-17-25)32-21-28(27-19-18-26(38)20-33(27)43-32)34-30(40)22-31(41)35(36(34)42)29(39)13-9-4-2-1-3-6-10-23-11-7-5-8-12-23/h5,7-8,11-12,14-20,22,28,32,37-38,40-42H,1-4,6,9-10,13,21H2/t28-,32+/m1/s1
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DNA polymerase beta in absence of bovine serum albumin


J Nat Prod 68: 1625-8 (2005)


Article DOI: 10.1021/np058064g
BindingDB Entry DOI: 10.7270/Q2Q2400B
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50250427
PNG
((+)-Myristinin D | CHEMBL448072)
Show SMILES Oc1ccc(cc1)[C@@H]1C[C@H](c2ccc(O)cc2O1)c1c(O)cc(O)c(C(=O)CCCCCCCCc2ccccc2)c1O |r|
Show InChI InChI=1S/C36H38O7/c37-25-16-14-24(15-17-25)32-21-28(27-19-18-26(38)20-33(27)43-32)34-30(40)22-31(41)35(36(34)42)29(39)13-9-4-2-1-3-6-10-23-11-7-5-8-12-23/h5,7-8,11-12,14-20,22,28,32,37-38,40-42H,1-4,6,9-10,13,21H2/t28-,32+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DNA polymerase beta in presence of bovine serum albumin


J Nat Prod 68: 1625-8 (2005)


Article DOI: 10.1021/np058064g
BindingDB Entry DOI: 10.7270/Q2Q2400B
More data for this
Ligand-Target Pair