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PubMed code 27163581

Compile data set for download or QSAR
Found 110 hits of Enzyme Inhibition Constant Data   
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
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188594
PNG
(CHEBI:62878 | CHEMBL1086580)
Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a 10n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188248
PNG
(CHEMBL3827440)
Show SMILES Oc1cccc2c1nc([nH]c2=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C14H9BrN2O2/c15-9-6-4-8(5-7-9)13-16-12-10(14(19)17-13)2-1-3-11(12)18/h1-7,18H,(H,16,17,19)
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n/an/a 15n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188594
PNG
(CHEBI:62878 | CHEMBL1086580)
Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a 17n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188471
PNG
(CHEMBL3827272)
Show SMILES Cc1ccc(cc1)-c1nc2c(O)cccc2c(=O)[nH]1
Show InChI InChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)14-16-13-11(15(19)17-14)3-2-4-12(13)18/h2-8,18H,1H3,(H,16,17,19)
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n/an/a 22n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188469
PNG
(CHEMBL151382)
Show SMILES Oc1cccc2c(O)nc(nc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H9F3N2O2/c16-15(17,18)9-6-4-8(5-7-9)13-19-12-10(14(22)20-13)2-1-3-11(12)21/h1-7,21H,(H,19,20,22)
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n/an/a 25n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50005187
PNG
(CHEMBL3099815)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(CN)cc1
Show InChI InChI=1S/C16H15N3O.BrH/c1-10-3-2-4-13-14(10)18-15(19-16(13)20)12-7-5-11(9-17)6-8-12;/h2-8H,9,17H2,1H3,(H,18,19,20);1H
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n/an/a 43n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188471
PNG
(CHEMBL3827272)
Show SMILES Cc1ccc(cc1)-c1nc2c(O)cccc2c(=O)[nH]1
Show InChI InChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)14-16-13-11(15(19)17-14)3-2-4-12(13)18/h2-8,18H,1H3,(H,16,17,19)
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n/an/a 44n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188581
PNG
(CHEMBL3828579)
Show SMILES O=C(NCc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1)OCc1ccccc1
Show InChI InChI=1S/C23H19N3O3/c27-22-19-8-4-5-9-20(19)25-21(26-22)18-12-10-16(11-13-18)14-24-23(28)29-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,28)(H,25,26,27)
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n/an/a 45n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188595
PNG
(CHEMBL3099681)
Show SMILES Oc1cccc2c1nc([nH]c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H9ClN2O2/c15-9-6-4-8(5-7-9)13-16-12-10(14(19)17-13)2-1-3-11(12)18/h1-7,18H,(H,16,17,19)
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n/an/a 46n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188248
PNG
(CHEMBL3827440)
Show SMILES Oc1cccc2c1nc([nH]c2=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C14H9BrN2O2/c15-9-6-4-8(5-7-9)13-16-12-10(14(19)17-13)2-1-3-11(12)18/h1-7,18H,(H,16,17,19)
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n/an/a 47n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188595
PNG
(CHEMBL3099681)
Show SMILES Oc1cccc2c1nc([nH]c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H9ClN2O2/c15-9-6-4-8(5-7-9)13-16-12-10(14(19)17-13)2-1-3-11(12)18/h1-7,18H,(H,16,17,19)
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n/an/a 49n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188469
PNG
(CHEMBL151382)
Show SMILES Oc1cccc2c(O)nc(nc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H9F3N2O2/c16-15(17,18)9-6-4-8(5-7-9)13-19-12-10(14(22)20-13)2-1-3-11(12)21/h1-7,21H,(H,19,20,22)
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n/an/a 53n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50321122
PNG
(2-Ethylquinazolin-4(3H)-one | CHEMBL1163173)
Show SMILES Clc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H9ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
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n/an/a 54n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188249
PNG
(CHEMBL338088)
Show SMILES Oc1cccc2c(O)nc(nc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H9N3O4/c18-11-3-1-2-10-12(11)15-13(16-14(10)19)8-4-6-9(7-5-8)17(20)21/h1-7,18H,(H,15,16,19)
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n/an/a 58n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188246
PNG
(CHEMBL3098936)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,1H3,(H,17,18,19)
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n/an/a 62n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50068759
PNG
(8-Methoxy-2-(4-trifluoromethyl-phenyl)-3H-quinazol...)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N2O2/c1-23-12-4-2-3-11-13(12)20-14(21-15(11)22)9-5-7-10(8-6-9)16(17,18)19/h2-8H,1H3,(H,20,21,22)
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n/an/a 73n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188473
PNG
(CHEMBL126167)
Show SMILES Nc1ccc(cc1)-c1nc(O)c2cccc(O)c2n1
Show InChI InChI=1S/C14H11N3O2/c15-9-6-4-8(5-7-9)13-16-12-10(14(19)17-13)2-1-3-11(12)18/h1-7,18H,15H2,(H,16,17,19)
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n/an/a 83n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188540
PNG
(CHEMBL127335)
Show SMILES Oc1ccc(cc1)-c1nc(O)c2cccc(O)c2n1
Show InChI InChI=1S/C14H10N2O3/c17-9-6-4-8(5-7-9)13-15-12-10(14(19)16-13)2-1-3-11(12)18/h1-7,17-18H,(H,15,16,19)
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n/an/a 86n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50068759
PNG
(8-Methoxy-2-(4-trifluoromethyl-phenyl)-3H-quinazol...)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N2O2/c1-23-12-4-2-3-11-13(12)20-14(21-15(11)22)9-5-7-10(8-6-9)16(17,18)19/h2-8H,1H3,(H,20,21,22)
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n/an/a 87n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188247
PNG
(CHEMBL3828676)
Show SMILES Oc1cccc2c1nc([nH]c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C14H9FN2O2/c15-9-6-4-8(5-7-9)13-16-12-10(14(19)17-13)2-1-3-11(12)18/h1-7,18H,(H,16,17,19)
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n/an/a 101n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188337
PNG
(CHEMBL2058057)
Show SMILES Brc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H9BrN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
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n/an/a 101n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188249
PNG
(CHEMBL338088)
Show SMILES Oc1cccc2c(O)nc(nc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H9N3O4/c18-11-3-1-2-10-12(11)15-13(16-14(10)19)8-4-6-9(7-5-8)17(20)21/h1-7,18H,(H,15,16,19)
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n/an/a 105n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188561
PNG
(CHEMBL3827963)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrN2O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,1H3,(H,17,18,19)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188561
PNG
(CHEMBL3827963)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrN2O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,1H3,(H,17,18,19)
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n/an/a 111n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188470
PNG
(CHEMBL340481)
Show SMILES COc1ccc(cc1)-c1nc(O)c2cccc(OC)c2n1
Show InChI InChI=1S/C16H14N2O3/c1-20-11-8-6-10(7-9-11)15-17-14-12(16(19)18-15)4-3-5-13(14)21-2/h3-9H,1-2H3,(H,17,18,19)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188248
PNG
(CHEMBL3827440)
Show SMILES Oc1cccc2c1nc([nH]c2=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C14H9BrN2O2/c15-9-6-4-8(5-7-9)13-16-12-10(14(19)17-13)2-1-3-11(12)18/h1-7,18H,(H,16,17,19)
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n/an/a 130n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50439825
PNG
(CHEMBL2419892)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C15H9F3N2O/c16-15(17,18)10-7-5-9(6-8-10)13-19-12-4-2-1-3-11(12)14(21)20-13/h1-8H,(H,19,20,21)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188245
PNG
(CHEMBL3827329)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(C)cc1
Show InChI InChI=1S/C16H14N2O2/c1-10-6-8-11(9-7-10)15-17-14-12(16(19)18-15)4-3-5-13(14)20-2/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 153n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188246
PNG
(CHEMBL3098936)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,1H3,(H,17,18,19)
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n/an/a 155n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188540
PNG
(CHEMBL127335)
Show SMILES Oc1ccc(cc1)-c1nc(O)c2cccc(O)c2n1
Show InChI InChI=1S/C14H10N2O3/c17-9-6-4-8(5-7-9)13-15-12-10(14(19)16-13)2-1-3-11(12)18/h1-7,17-18H,(H,15,16,19)
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n/an/a 156n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188245
PNG
(CHEMBL3827329)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(C)cc1
Show InChI InChI=1S/C16H14N2O2/c1-10-6-8-11(9-7-10)15-17-14-12(16(19)18-15)4-3-5-13(14)20-2/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 167n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188596
PNG
(CHEMBL341142)
Show SMILES Oc1cccc2c(O)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C14H10N2O2/c17-11-8-4-7-10-12(11)15-13(16-14(10)18)9-5-2-1-3-6-9/h1-8,17H,(H,15,16,18)
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n/an/a 180n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50019165
PNG
(2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2) |...)
Show SMILES Oc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)
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n/an/a 189n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188249
PNG
(CHEMBL338088)
Show SMILES Oc1cccc2c(O)nc(nc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H9N3O4/c18-11-3-1-2-10-12(11)15-13(16-14(10)19)8-4-6-9(7-5-8)17(20)21/h1-7,18H,(H,15,16,19)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188596
PNG
(CHEMBL341142)
Show SMILES Oc1cccc2c(O)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C14H10N2O2/c17-11-8-4-7-10-12(11)15-13(16-14(10)18)9-5-2-1-3-6-9/h1-8,17H,(H,15,16,18)
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n/an/a 195n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188473
PNG
(CHEMBL126167)
Show SMILES Nc1ccc(cc1)-c1nc(O)c2cccc(O)c2n1
Show InChI InChI=1S/C14H11N3O2/c15-9-6-4-8(5-7-9)13-16-12-10(14(19)17-13)2-1-3-11(12)18/h1-7,18H,15H2,(H,16,17,19)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188337
PNG
(CHEMBL2058057)
Show SMILES Brc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H9BrN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50019166
PNG
(CHEMBL336718)
Show SMILES COc1ccc(cc1)-c1nc(O)c2ccccc2n1
Show InChI InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50188561
PNG
(CHEMBL3827963)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrN2O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,1H3,(H,17,18,19)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50019164
PNG
(CHEMBL1164165)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H9N3O3/c18-14-11-3-1-2-4-12(11)15-13(16-14)9-5-7-10(8-6-9)17(19)20/h1-8H,(H,15,16,18)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188247
PNG
(CHEMBL3828676)
Show SMILES Oc1cccc2c1nc([nH]c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C14H9FN2O2/c15-9-6-4-8(5-7-9)13-16-12-10(14(19)17-13)2-1-3-11(12)18/h1-7,18H,(H,16,17,19)
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n/an/a 263n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50005187
PNG
(CHEMBL3099815)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(CN)cc1
Show InChI InChI=1S/C16H15N3O.BrH/c1-10-3-2-4-13-14(10)18-15(19-16(13)20)12-7-5-11(9-17)6-8-12;/h2-8H,9,17H2,1H3,(H,18,19,20);1H
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188473
PNG
(CHEMBL126167)
Show SMILES Nc1ccc(cc1)-c1nc(O)c2cccc(O)c2n1
Show InChI InChI=1S/C14H11N3O2/c15-9-6-4-8(5-7-9)13-16-12-10(14(19)17-13)2-1-3-11(12)18/h1-7,18H,15H2,(H,16,17,19)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188472
PNG
(CHEMBL3827770)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C15H11FN2O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,1H3,(H,17,18,19)
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n/an/a 299n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50019167
PNG
(CHEMBL3289109)
Show SMILES Cc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
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n/an/a 346n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188470
PNG
(CHEMBL340481)
Show SMILES COc1ccc(cc1)-c1nc(O)c2cccc(OC)c2n1
Show InChI InChI=1S/C16H14N2O3/c1-20-11-8-6-10(7-9-11)15-17-14-12(16(19)18-15)4-3-5-13(14)21-2/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 346n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50019167
PNG
(CHEMBL3289109)
Show SMILES Cc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
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n/an/a 424n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50439825
PNG
(CHEMBL2419892)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C15H9F3N2O/c16-15(17,18)10-7-5-9(6-8-10)13-19-12-4-2-1-3-11(12)14(21)20-13/h1-8H,(H,19,20,21)
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n/an/a 425n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188472
PNG
(CHEMBL3827770)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C15H11FN2O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,1H3,(H,17,18,19)
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n/an/a 459n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188518
PNG
(CHEMBL126871)
Show SMILES COc1cccc2c(O)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c1-19-12-9-5-8-11-13(12)16-14(17-15(11)18)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17,18)
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n/an/a 475n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50321122
PNG
(2-Ethylquinazolin-4(3H)-one | CHEMBL1163173)
Show SMILES Clc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H9ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
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n/an/a 485n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50019165
PNG
(2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2) |...)
Show SMILES Oc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)
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n/an/a 528n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50019167
PNG
(CHEMBL3289109)
Show SMILES Cc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
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n/an/a 540n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188471
PNG
(CHEMBL3827272)
Show SMILES Cc1ccc(cc1)-c1nc2c(O)cccc2c(=O)[nH]1
Show InChI InChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)14-16-13-11(15(19)17-14)3-2-4-12(13)18/h2-8,18H,1H3,(H,16,17,19)
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n/an/a 559n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50068759
PNG
(8-Methoxy-2-(4-trifluoromethyl-phenyl)-3H-quinazol...)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N2O2/c1-23-12-4-2-3-11-13(12)20-14(21-15(11)22)9-5-7-10(8-6-9)16(17,18)19/h2-8H,1H3,(H,20,21,22)
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n/an/a 570n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50019166
PNG
(CHEMBL336718)
Show SMILES COc1ccc(cc1)-c1nc(O)c2ccccc2n1
Show InChI InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
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n/an/a 611n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188595
PNG
(CHEMBL3099681)
Show SMILES Oc1cccc2c1nc([nH]c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H9ClN2O2/c15-9-6-4-8(5-7-9)13-16-12-10(14(19)17-13)2-1-3-11(12)18/h1-7,18H,(H,16,17,19)
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n/an/a 645n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50444542
PNG
(CHEMBL3098938)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C15H11FN2O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 683n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188593
PNG
(CHEMBL3827921)
Show SMILES Nc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H11N3O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,15H2,(H,16,17,18)
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n/an/a 690n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188597
PNG
(CHEMBL18688)
Show SMILES Oc1nc(nc2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C14H9FN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
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n/an/a 781n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188593
PNG
(CHEMBL3827921)
Show SMILES Nc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H11N3O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,15H2,(H,16,17,18)
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n/an/a 786n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188540
PNG
(CHEMBL127335)
Show SMILES Oc1ccc(cc1)-c1nc(O)c2cccc(O)c2n1
Show InChI InChI=1S/C14H10N2O3/c17-9-6-4-8(5-7-9)13-15-12-10(14(19)16-13)2-1-3-11(12)18/h1-7,17-18H,(H,15,16,19)
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n/an/a 856n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188556
PNG
(CHEMBL125154)
Show SMILES COc1cccc2c(O)nc(nc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O4/c1-22-12-4-2-3-11-13(12)16-14(17-15(11)19)9-5-7-10(8-6-9)18(20)21/h2-8H,1H3,(H,16,17,19)
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n/an/a 863n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188556
PNG
(CHEMBL125154)
Show SMILES COc1cccc2c(O)nc(nc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O4/c1-22-12-4-2-3-11-13(12)16-14(17-15(11)19)9-5-7-10(8-6-9)18(20)21/h2-8H,1H3,(H,16,17,19)
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n/an/a 873n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50005187
PNG
(CHEMBL3099815)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(CN)cc1
Show InChI InChI=1S/C16H15N3O.BrH/c1-10-3-2-4-13-14(10)18-15(19-16(13)20)12-7-5-11(9-17)6-8-12;/h2-8H,9,17H2,1H3,(H,18,19,20);1H
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n/an/a 907n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50188556
PNG
(CHEMBL125154)
Show SMILES COc1cccc2c(O)nc(nc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O4/c1-22-12-4-2-3-11-13(12)16-14(17-15(11)19)9-5-7-10(8-6-9)18(20)21/h2-8H,1H3,(H,16,17,19)
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n/an/a 928n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188518
PNG
(CHEMBL126871)
Show SMILES COc1cccc2c(O)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c1-19-12-9-5-8-11-13(12)16-14(17-15(11)18)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17,18)
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n/an/a 1.03E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188596
PNG
(CHEMBL341142)
Show SMILES Oc1cccc2c(O)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C14H10N2O2/c17-11-8-4-7-10-12(11)15-13(16-14(10)18)9-5-2-1-3-6-9/h1-8,17H,(H,15,16,18)
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n/an/a 1.03E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188598
PNG
(CHEMBL151728)
Show SMILES COc1cccc2c(O)nc(nc12)-c1ccc(N)cc1
Show InChI InChI=1S/C15H13N3O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,16H2,1H3,(H,17,18,19)
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n/an/a 1.08E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50019164
PNG
(CHEMBL1164165)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H9N3O3/c18-14-11-3-1-2-4-12(11)15-13(16-14)9-5-7-10(8-6-9)17(19)20/h1-8H,(H,15,16,18)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188597
PNG
(CHEMBL18688)
Show SMILES Oc1nc(nc2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C14H9FN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188594
PNG
(CHEBI:62878 | CHEMBL1086580)
Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188470
PNG
(CHEMBL340481)
Show SMILES COc1ccc(cc1)-c1nc(O)c2cccc(OC)c2n1
Show InChI InChI=1S/C16H14N2O3/c1-20-11-8-6-10(7-9-11)15-17-14-12(16(19)18-15)4-3-5-13(14)21-2/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 1.24E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188598
PNG
(CHEMBL151728)
Show SMILES COc1cccc2c(O)nc(nc12)-c1ccc(N)cc1
Show InChI InChI=1S/C15H13N3O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,16H2,1H3,(H,17,18,19)
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n/an/a 1.28E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188593
PNG
(CHEMBL3827921)
Show SMILES Nc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H11N3O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,15H2,(H,16,17,18)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188247
PNG
(CHEMBL3828676)
Show SMILES Oc1cccc2c1nc([nH]c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C14H9FN2O2/c15-9-6-4-8(5-7-9)13-16-12-10(14(19)17-13)2-1-3-11(12)18/h1-7,18H,(H,16,17,19)
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n/an/a 1.36E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188599
PNG
(CHEMBL127066)
Show SMILES Oc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C14H10N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9H,(H,15,16,17)
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n/an/a 1.41E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50188518
PNG
(CHEMBL126871)
Show SMILES COc1cccc2c(O)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c1-19-12-9-5-8-11-13(12)16-14(17-15(11)18)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17,18)
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n/an/a 1.54E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50188472
PNG
(CHEMBL3827770)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C15H11FN2O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,1H3,(H,17,18,19)
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n/an/a 1.56E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188598
PNG
(CHEMBL151728)
Show SMILES COc1cccc2c(O)nc(nc12)-c1ccc(N)cc1
Show InChI InChI=1S/C15H13N3O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,16H2,1H3,(H,17,18,19)
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n/an/a 1.59E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50019164
PNG
(CHEMBL1164165)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H9N3O3/c18-14-11-3-1-2-4-12(11)15-13(16-14)9-5-7-10(8-6-9)17(19)20/h1-8H,(H,15,16,18)
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n/an/a 2.06E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50188599
PNG
(CHEMBL127066)
Show SMILES Oc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C14H10N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9H,(H,15,16,17)
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188245
PNG
(CHEMBL3827329)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(C)cc1
Show InChI InChI=1S/C16H14N2O2/c1-10-6-8-11(9-7-10)15-17-14-12(16(19)18-15)4-3-5-13(14)20-2/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50188581
PNG
(CHEMBL3828579)
Show SMILES O=C(NCc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1)OCc1ccccc1
Show InChI InChI=1S/C23H19N3O3/c27-22-19-8-4-5-9-20(19)25-21(26-22)18-12-10-16(11-13-18)14-24-23(28)29-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,28)(H,25,26,27)
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n/an/a 2.42E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50321122
PNG
(2-Ethylquinazolin-4(3H)-one | CHEMBL1163173)
Show SMILES Clc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H9ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50019166
PNG
(CHEMBL336718)
Show SMILES COc1ccc(cc1)-c1nc(O)c2ccccc2n1
Show InChI InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
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n/an/a 2.72E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188599
PNG
(CHEMBL127066)
Show SMILES Oc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C14H10N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9H,(H,15,16,17)
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n/an/a 2.86E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50188600
PNG
(CHEMBL346886)
Show SMILES Cc1cccc2c(O)nc(nc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N2O/c1-9-3-2-4-12-13(9)20-14(21-15(12)22)10-5-7-11(8-6-10)16(17,18)19/h2-8H,1H3,(H,20,21,22)
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188469
PNG
(CHEMBL151382)
Show SMILES Oc1cccc2c(O)nc(nc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H9F3N2O2/c16-15(17,18)9-6-4-8(5-7-9)13-19-12-10(14(22)20-13)2-1-3-11(12)21/h1-7,21H,(H,19,20,22)
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n/an/a 3.11E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50188597
PNG
(CHEMBL18688)
Show SMILES Oc1nc(nc2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C14H9FN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
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n/an/a 4.69E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50188246
PNG
(CHEMBL3098936)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,1H3,(H,17,18,19)
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n/an/a 6.02E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50444544
PNG
(CHEMBL3098939)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 6.35E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50019165
PNG
(2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2) |...)
Show SMILES Oc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)
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n/an/a 6.43E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188556
PNG
(CHEMBL125154)
Show SMILES COc1cccc2c(O)nc(nc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O4/c1-22-12-4-2-3-11-13(12)16-14(17-15(11)19)9-5-7-10(8-6-9)18(20)21/h2-8H,1H3,(H,16,17,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50188581
PNG
(CHEMBL3828579)
Show SMILES O=C(NCc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1)OCc1ccccc1
Show InChI InChI=1S/C23H19N3O3/c27-22-19-8-4-5-9-20(19)25-21(26-22)18-12-10-16(11-13-18)14-24-23(28)29-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,28)(H,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50019164
PNG
(CHEMBL1164165)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H9N3O3/c18-14-11-3-1-2-4-12(11)15-13(16-14)9-5-7-10(8-6-9)17(19)20/h1-8H,(H,15,16,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188246
PNG
(CHEMBL3098936)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,1H3,(H,17,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188581
PNG
(CHEMBL3828579)
Show SMILES O=C(NCc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1)OCc1ccccc1
Show InChI InChI=1S/C23H19N3O3/c27-22-19-8-4-5-9-20(19)25-21(26-22)18-12-10-16(11-13-18)14-24-23(28)29-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,28)(H,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50439825
PNG
(CHEMBL2419892)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C15H9F3N2O/c16-15(17,18)10-7-5-9(6-8-10)13-19-12-4-2-1-3-11(12)14(21)20-13/h1-8H,(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188472
PNG
(CHEMBL3827770)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C15H11FN2O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,1H3,(H,17,18,19)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188518
PNG
(CHEMBL126871)
Show SMILES COc1cccc2c(O)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c1-19-12-9-5-8-11-13(12)16-14(17-15(11)18)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17,18)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50444543
PNG
(CHEMBL3098937)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrN2O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 1.05E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188561
PNG
(CHEMBL3827963)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrN2O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,1H3,(H,17,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188337
PNG
(CHEMBL2058057)
Show SMILES Brc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H9BrN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50321122
PNG
(2-Ethylquinazolin-4(3H)-one | CHEMBL1163173)
Show SMILES Clc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H9ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50188337
PNG
(CHEMBL2058057)
Show SMILES Brc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H9BrN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50188597
PNG
(CHEMBL18688)
Show SMILES Oc1nc(nc2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C14H9FN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50444541
PNG
(CHEMBL3098935)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(CNC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O3/c1-16-6-5-9-20-21(16)26-22(27-23(20)28)19-12-10-17(11-13-19)14-25-24(29)30-15-18-7-3-2-4-8-18/h2-13H,14-15H2,1H3,(H,25,29)(H,26,27,28)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50439825
PNG
(CHEMBL2419892)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C15H9F3N2O/c16-15(17,18)10-7-5-9(6-8-10)13-19-12-4-2-1-3-11(12)14(21)20-13/h1-8H,(H,19,20,21)
PDB
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B.MOAD
antibodypedia
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CHEMBL
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UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50068759
PNG
(8-Methoxy-2-(4-trifluoromethyl-phenyl)-3H-quinazol...)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N2O2/c1-23-12-4-2-3-11-13(12)20-14(21-15(11)22)9-5-7-10(8-6-9)16(17,18)19/h2-8H,1H3,(H,20,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%