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SMILES: Cc1cc(O)cc(O)c1C(=O)O[C@H]1[C@@H]2COC(\C=C\CO)=CC2=CC(=O)[C@@]1(C)O

InChI Key: InChIKey=KKSKNERURMTALE-XWEVTOJWSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50379294   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA polymerase delta catalytic subunit


(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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n/an/a 9.64E+4n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase delta assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins


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
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
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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n/an/a>2.00E+5n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of mouse IMP dehydrogenase 2


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 beta


(Rattus norvegicus)
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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n/an/a>2.00E+5n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta expressed in Escherichia coli JMpbeta5 assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)1...


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-directed DNA/RNA polymerase mu


(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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n/an/a>2.00E+5n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged recombinant DNA polymerase mu expressed in Escherichia coli BL21 assessed as inhibition of incorporation of dTTP into ...


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 nucleotidylexotransferase


(Bos taurus)
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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n/an/a>2.00E+5n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of calf TdT assessed as inhibition of incorporation of dTTP into oligo(dT)18(3'OH) after 60 mins


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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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
Probable maltase-glucoamylase 2


(Homo sapiens)
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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n/an/a>2.00E+5n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl glycoside as substrate treated 20 mins post substrate addition measured for 1 mi...


J Nat Prod 80: 2199-2203 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00032
BindingDB Entry DOI: 10.7270/Q20P12MS
More data for this
Ligand-Target Pair
DNA polymerase kappa


(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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n/an/a 8.89E+4n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal-His6-tagged DNA polymerase kappa expressed in Escherichia coli assessed as inhibition of incorporation of dTTP into po...


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-directed DNA polymerase


(Enterobacteria phage T4)
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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n/an/a>2.00E+5n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of T4 bacteriophage DNA polymerase assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins


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
Polynucleotide kinase


(Enterobacteria phage T4)
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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n/an/a>2.00E+5n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of T4 arnN8l pseT 1 polynucleotide kinase assessed as inhibition of Salmon sperm DNA phosphorylation using [gamma32P]ATP by liquid scintil...


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
Deoxyribonuclease-1


(Bos taurus)
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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n/an/a>2.00E+5n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of bovine deoxyribonuclease 1 using [3H]-labelled DNA after 30 mins by agorose gel electrophoresis


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 lambda


(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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n/an/a>2.00E+5n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DNA polymerase lambda expressed in Escherichia coli assessed as inhibition of incorporation of dTTP into p...


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 iota


(Mus musculus)
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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n/an/a 9.10E+4n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant C-terminal-His6-tagged DNA polymerase iota assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 ...


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