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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'DNA polymerase nu'   
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 nu


(Homo sapiens (Human))
BDBM50379292
PNG
(CHEMBL2011646)
Show SMILES C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)[C@@H](O)[C@@H]2CO1 |r,t:3,5|
Show InChI InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,25H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1
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UniProtKB/SwissProt

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Article
PubMed
n/an/a 5.09E+4n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of C-terminal-His6-tagged human pol nu expressed in Escherichia coli assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(d...


J Nat Prod 75: 135-41 (2012)


Article DOI: 10.1021/np200523b
BindingDB Entry DOI: 10.7270/Q2T154NG
More data for this
Ligand-Target Pair
DNA polymerase nu


(Homo sapiens (Human))
BDBM50379293
PNG
(CHEMBL2011648)
Show SMILES C\C=C\C1=CC2=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1 |r,t:3,5|
Show InChI InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,26)19(15(12)10-27-14)28-20(25)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,26H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1
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UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 6.31E+4n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of C-terminal-His6-tagged human pol nu expressed in Escherichia coli assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(d...


J Nat Prod 75: 135-41 (2012)


Article DOI: 10.1021/np200523b
BindingDB Entry DOI: 10.7270/Q2T154NG
More data for this
Ligand-Target Pair
DNA polymerase nu


(Homo sapiens (Human))
BDBM50379294
PNG
(CHEMBL2011647)
Show SMILES Cc1cc(O)cc(O)c1C(=O)O[C@H]1[C@@H]2COC(\C=C\CO)=CC2=CC(=O)[C@@]1(C)O |r,c:21,24|
Show InChI InChI=1S/C21H22O8/c1-11-6-13(23)9-16(24)18(11)20(26)29-19-15-10-28-14(4-3-5-22)7-12(15)8-17(25)21(19,2)27/h3-4,6-9,15,19,22-24,27H,5,10H2,1-2H3/b4-3+/t15-,19+,21-/m1/s1
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UniProtKB/SwissProt

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PubMed
n/an/a 9.21E+4n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of C-terminal-His6-tagged human pol nu expressed in Escherichia coli assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(d...


J Nat Prod 75: 135-41 (2012)


Article DOI: 10.1021/np200523b
BindingDB Entry DOI: 10.7270/Q2T154NG
More data for this
Ligand-Target Pair
DNA polymerase nu


(Homo sapiens (Human))
BDBM50591035
PNG
(CHEMBL5187422)
Show SMILES Nc1ccc(nn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1
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MCE
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00998
BindingDB Entry DOI: 10.7270/Q2C53QVS
More data for this
Ligand-Target Pair