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Compile Data Set for Download or QSAR

Found 947 hits Enz. Inhib. hit(s) with Target = 'Tankyrase 1/2'   
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
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50234915
PNG
(CHEMBL4069447)
Show SMILES Cc1cccc2c1nc(CCC(=O)Nc1ccc(cc1)C(=O)Nc1cccc3cccnc13)[nH]c2=O
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n/an/a 0.100n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL




J Med Chem 60: 814-820 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50234915
PNG
(CHEMBL4069447)
Show SMILES Cc1cccc2c1nc(CCC(=O)Nc1ccc(cc1)C(=O)Nc1cccc3cccnc13)[nH]c2=O
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n/an/a 0.100n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL




J Med Chem 60: 814-820 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50234916
PNG
(CHEMBL4098188)
Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(cc1)C(=O)Nc1cccc2cccnc12
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n/an/a 0.200n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL




J Med Chem 60: 814-820 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50234916
PNG
(CHEMBL4098188)
Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(cc1)C(=O)Nc1cccc2cccnc12
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n/an/a 0.204n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL




J Med Chem 60: 814-820 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50232346
PNG
(CHEMBL4101890)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1cc(C)c(cn1)-c1ccc(cc1)-c1nc2n(C)ccc2c(=O)[nH]1 |r|
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n/an/a 0.479n/an/an/an/an/an/a



Health& Science University

Curated by ChEMBL




J Med Chem 60: 1262-1271 (2017)

More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50232346
PNG
(CHEMBL4101890)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1cc(C)c(cn1)-c1ccc(cc1)-c1nc2n(C)ccc2c(=O)[nH]1 |r|
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n/an/a 0.600n/an/an/an/an/an/a



Health& Science University

Curated by ChEMBL




J Med Chem 60: 1262-1271 (2017)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM191194
PNG
(US9181266, 63)
Show SMILES COc1ccc2C(=O)C3(Cc2c1)CCN(CC(=O)N(CC1CC1)Cc1nc2CCOCc2c(=O)[nH]1)CC3
Show InChI InChI=1S/C28H34N4O5/c1-36-20-4-5-21-19(12-20)13-28(26(21)34)7-9-31(10-8-28)16-25(33)32(14-18-2-3-18)15-24-29-23-6-11-37-17-22(23)27(35)30-24/h4-5,12,18H,2-3,6-11,13-17H2,1H3,(H,29,30,35)
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US Patent
n/an/a 1n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50094926
PNG
(CHEMBL3589282)
Show SMILES COc1ccc(cc1)-c1cc2N(C)CCCc2c(=O)[nH]1
Show InChI InChI=1S/C16H18N2O2/c1-18-9-3-4-13-15(18)10-14(17-16(13)19)11-5-7-12(20-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,17,19)
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n/an/a 1.10n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 catalytic activity


Bioorg Med Chem 23: 3013-32 (2015)


Article DOI: 10.1016/j.bmc.2015.05.005
BindingDB Entry DOI: 10.7270/Q2X35072
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50094923
PNG
(CHEMBL3589254)
Show SMILES O=c1[nH]c(cc2ccncc12)-c1ccccc1
Show InChI InChI=1S/C14H10N2O/c17-14-12-9-15-7-6-11(12)8-13(16-14)10-4-2-1-3-5-10/h1-9H,(H,16,17)
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n/an/a 1.30n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 catalytic activity


Bioorg Med Chem 23: 3013-32 (2015)


Article DOI: 10.1016/j.bmc.2015.05.005
BindingDB Entry DOI: 10.7270/Q2X35072
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50094927
PNG
(CHEMBL3589283)
Show SMILES CN1CCCc2c1cc([nH]c2=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H15F3N2O/c1-21-8-2-3-12-14(21)9-13(20-15(12)22)10-4-6-11(7-5-10)16(17,18)19/h4-7,9H,2-3,8H2,1H3,(H,20,22)
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n/an/a 1.5n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 catalytic activity


Bioorg Med Chem 23: 3013-32 (2015)


Article DOI: 10.1016/j.bmc.2015.05.005
BindingDB Entry DOI: 10.7270/Q2X35072
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50169061
PNG
(CHEMBL3805393)
Show SMILES COc1ccc(cn1)C(=O)C1CCN(CC1)C(=O)CCCc1cn2cc(F)cc2c(=O)[nH]1
Show InChI InChI=1S/C23H25FN4O4/c1-32-20-6-5-16(12-25-20)22(30)15-7-9-27(10-8-15)21(29)4-2-3-18-14-28-13-17(24)11-19(28)23(31)26-18/h5-6,11-15H,2-4,7-10H2,1H3,(H,26,31)
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n/an/a 1.60n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS2 (873 to 1166 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA


ACS Med Chem Lett 7: 209-10 (2016)


BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50169056
PNG
(CHEMBL3806163)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)CCCc1cn2cc(F)cc2c(=O)[nH]1
Show InChI InChI=1S/C24H26FN3O4/c1-32-20-7-5-16(6-8-20)23(30)17-9-11-27(12-10-17)22(29)4-2-3-19-15-28-14-18(25)13-21(28)24(31)26-19/h5-8,13-15,17H,2-4,9-12H2,1H3,(H,26,31)
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n/an/a 1.70n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS2 (873 to 1166 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA


ACS Med Chem Lett 7: 209-10 (2016)


BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50094926
PNG
(CHEMBL3589282)
Show SMILES COc1ccc(cc1)-c1cc2N(C)CCCc2c(=O)[nH]1
Show InChI InChI=1S/C16H18N2O2/c1-18-9-3-4-13-15(18)10-14(17-16(13)19)11-5-7-12(20-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,17,19)
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n/an/a 1.70n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human TNKS2 catalytic activity


Bioorg Med Chem 23: 3013-32 (2015)


Article DOI: 10.1016/j.bmc.2015.05.005
BindingDB Entry DOI: 10.7270/Q2X35072
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50169057
PNG
(CHEMBL3805896)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)CCCc1cn2c(C)ccc2c(=O)[nH]1
Show InChI InChI=1S/C25H29N3O4/c1-17-6-11-22-25(31)26-20(16-28(17)22)4-3-5-23(29)27-14-12-19(13-15-27)24(30)18-7-9-21(32-2)10-8-18/h6-11,16,19H,3-5,12-15H2,1-2H3,(H,26,31)
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n/an/a 1.80n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS1 (1023 to 1327 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA


ACS Med Chem Lett 7: 209-10 (2016)


BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50169057
PNG
(CHEMBL3805896)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)CCCc1cn2c(C)ccc2c(=O)[nH]1
Show InChI InChI=1S/C25H29N3O4/c1-17-6-11-22-25(31)26-20(16-28(17)22)4-3-5-23(29)27-14-12-19(13-15-27)24(30)18-7-9-21(32-2)10-8-18/h6-11,16,19H,3-5,12-15H2,1-2H3,(H,26,31)
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n/an/a 1.80n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS2 (873 to 1166 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA


ACS Med Chem Lett 7: 209-10 (2016)


BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50169060
PNG
(CHEMBL3804939)
Show SMILES COc1ccc(cc1C)C(=O)C1CCN(CC1)C(=O)CCCc1nc2c(C)scc2c(=O)[nH]1
Show InChI InChI=1S/C25H29N3O4S/c1-15-13-18(7-8-20(15)32-3)24(30)17-9-11-28(12-10-17)22(29)6-4-5-21-26-23-16(2)33-14-19(23)25(31)27-21/h7-8,13-14,17H,4-6,9-12H2,1-3H3,(H,26,27,31)
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n/an/a 1.90n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS2 (873 to 1166 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA


ACS Med Chem Lett 7: 209-10 (2016)


BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238434
PNG
(CHEMBL4098952)
Show SMILES O=C(N1CCN(CC1)c1ccncn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
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n/an/a 2n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50425969
PNG
(CHEMBL2314698)
Show SMILES COc1ccccc1NC(=O)c1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C25H22N4O4/c1-33-21-9-5-4-8-20(21)28-24(31)16-10-12-17(13-11-16)26-23(30)15-14-22-27-19-7-3-2-6-18(19)25(32)29-22/h2-13H,14-15H2,1H3,(H,26,30)(H,28,31)(H,27,29,32)
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human TNKS2 (946 to 1162 amino acid residues) after 60 mins by autoparsylation assay


J Med Chem 56: 1341-5 (2013)


Article DOI: 10.1021/jm301607v
BindingDB Entry DOI: 10.7270/Q21N82DQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50169056
PNG
(CHEMBL3806163)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)CCCc1cn2cc(F)cc2c(=O)[nH]1
Show InChI InChI=1S/C24H26FN3O4/c1-32-20-7-5-16(6-8-20)23(30)17-9-11-27(12-10-17)22(29)4-2-3-19-15-28-14-18(25)13-21(28)24(31)26-19/h5-8,13-15,17H,2-4,9-12H2,1H3,(H,26,31)
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n/an/a 2n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS1 (1023 to 1327 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA


ACS Med Chem Lett 7: 209-10 (2016)


BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50094923
PNG
(CHEMBL3589254)
Show SMILES O=c1[nH]c(cc2ccncc12)-c1ccccc1
Show InChI InChI=1S/C14H10N2O/c17-14-12-9-15-7-6-11(12)8-13(16-14)10-4-2-1-3-5-10/h1-9H,(H,16,17)
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n/an/a 2.20n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human TNKS2 catalytic activity


Bioorg Med Chem 23: 3013-32 (2015)


Article DOI: 10.1016/j.bmc.2015.05.005
BindingDB Entry DOI: 10.7270/Q2X35072
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50169061
PNG
(CHEMBL3805393)
Show SMILES COc1ccc(cn1)C(=O)C1CCN(CC1)C(=O)CCCc1cn2cc(F)cc2c(=O)[nH]1
Show InChI InChI=1S/C23H25FN4O4/c1-32-20-6-5-16(12-25-20)22(30)15-7-9-27(10-8-15)21(29)4-2-3-18-14-28-13-17(24)11-19(28)23(31)26-18/h5-6,11-15H,2-4,7-10H2,1H3,(H,26,31)
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n/an/a 2.40n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS1 (1023 to 1327 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA


ACS Med Chem Lett 7: 209-10 (2016)


BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238419
PNG
(CHEMBL4060134)
Show SMILES Cn1cnc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
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n/an/a 2.5n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50229708
PNG
(CHEMBL4069862)
Show SMILES C1CC2=C(CS1)N=C(NC2)c1ccccc1 |c:2,7|
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n/an/a 2.5n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL




J Med Chem 60: 1238-1246 (2017)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM191195
PNG
(US9181266, 64)
Show SMILES COc1ccc2C(=O)C3(Cc2c1)CCN(CC(=O)N(CC(F)F)Cc1nc2CCOCc2c(=O)[nH]1)CC3
Show InChI InChI=1S/C26H30F2N4O5/c1-36-17-2-3-18-16(10-17)11-26(24(18)34)5-7-31(8-6-26)14-23(33)32(12-21(27)28)13-22-29-20-4-9-37-15-19(20)25(35)30-22/h2-3,10,21H,4-9,11-15H2,1H3,(H,29,30,35)
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n/an/a 2.5n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50169058
PNG
(CHEMBL3806049)
Show SMILES CC(C)n1cc(cn1)C(=O)C1CCN(CC1)C(=O)CCCc1nc2n(C)ccc2c(=O)[nH]1
Show InChI InChI=1S/C23H30N6O3/c1-15(2)29-14-17(13-24-29)21(31)16-7-11-28(12-8-16)20(30)6-4-5-19-25-22-18(23(32)26-19)9-10-27(22)3/h9-10,13-16H,4-8,11-12H2,1-3H3,(H,25,26,32)
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n/an/a 2.80n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS2 (873 to 1166 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA


ACS Med Chem Lett 7: 209-10 (2016)


BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50068755
PNG
(2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C15H12N2O2/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(18)8-6-10/h2-8,18H,1H3,(H,16,17,19)
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n/an/a 3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM185805
PNG
(US9163003, 13)
Show SMILES COc1ccc(cc1C)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O |r|
Show InChI InChI=1/C26H32N4O5/c1-16-13-18(3-4-22(16)34-2)24(31)17-5-9-29(10-6-17)21-7-11-30(26(21)33)14-23-27-20-8-12-35-15-19(20)25(32)28-23/h3-4,13,17,21H,5-12,14-15H2,1-2H3,(H,27,28,32)/t21-/s2
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n/an/a 3n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM224629
PNG
(US9328111, 2)
Show SMILES O=c1[nH]nc2c3CCCCc3[nH]c3cccc1c23
Show InChI InChI=1S/C14H13N3O/c18-14-9-5-3-7-11-12(9)13(16-17-14)8-4-1-2-6-10(8)15-11/h3,5,7,15H,1-2,4,6H2,(H,17,18)
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n/an/a 3.20n/an/an/an/an/an/a



BeiGene Ltd.

US Patent


Assay Description
Tankyrase-2 enzymatic assay was conducted using commercial Tankyrase-2 Chemiluminescent Assay Kit (BPS Biosciences) and the protocol with the kit. GS...


US Patent US9328111 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BT3
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50068766
PNG
(2-(4-Amino-phenyl)-8-methyl-3H-quinazolin-4-one | ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(N)cc1
Show InChI InChI=1S/C15H13N3O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,16H2,1H3,(H,17,18,19)
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n/an/a 3.30n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50169059
PNG
(CHEMBL3805627)
Show SMILES Cc1ccc2n1nc(CCCC(=O)N1CCC(CC1)Oc1ccc(cc1)C#N)[nH]c2=O
Show InChI InChI=1S/C23H25N5O3/c1-16-5-10-20-23(30)25-21(26-28(16)20)3-2-4-22(29)27-13-11-19(12-14-27)31-18-8-6-17(15-24)7-9-18/h5-10,19H,2-4,11-14H2,1H3,(H,25,26,30)
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n/an/a 3.90n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS2 (873 to 1166 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA


ACS Med Chem Lett 7: 209-10 (2016)


BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(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 4n/an/an/an/an/an/a



Health& Science University

Curated by ChEMBL




J Med Chem 60: 1262-1271 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238417
PNG
(CHEMBL4094551)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)c1c[nH]cn1
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n/an/a 4n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50169060
PNG
(CHEMBL3804939)
Show SMILES COc1ccc(cc1C)C(=O)C1CCN(CC1)C(=O)CCCc1nc2c(C)scc2c(=O)[nH]1
Show InChI InChI=1S/C25H29N3O4S/c1-15-13-18(7-8-20(15)32-3)24(30)17-9-11-28(12-10-17)22(29)6-4-5-21-26-23-16(2)33-14-19(23)25(31)27-21/h7-8,13-14,17H,4-6,9-12H2,1-3H3,(H,26,27,31)
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n/an/a 4n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS1 (1023 to 1327 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA


ACS Med Chem Lett 7: 209-10 (2016)


BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
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 4n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of TNKS2


J Med Chem 53: 5352-5 (2010)


Article DOI: 10.1021/jm100249w
BindingDB Entry DOI: 10.7270/Q2M32WQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM191193
PNG
(US9181266, 62)
Show SMILES Fc1ccc2C(=O)C3(Cc2c1)CCN(CC(=O)N(CC1CC1)Cc1nc2CCOCc2c(=O)[nH]1)CC3
Show InChI InChI=1S/C27H31FN4O4/c28-19-3-4-20-18(11-19)12-27(25(20)34)6-8-31(9-7-27)15-24(33)32(13-17-1-2-17)14-23-29-22-5-10-36-16-21(22)26(35)30-23/h3-4,11,17H,1-2,5-10,12-16H2,(H,29,30,35)
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n/an/a 4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
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 4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of tankyrase2 (unknown origin)


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
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 4n/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of TNKS-2 (unknown origin) by TCF/beta-catenin-dependent reporter assay


J Med Chem 57: 2807-12 (2014)


Article DOI: 10.1021/jm401356t
BindingDB Entry DOI: 10.7270/Q2W37XT9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50441357
PNG
(CHEMBL2431805)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CSCCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-7-21-6-5-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a 4n/an/an/an/an/an/a



Sienabiotech S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Tankyrases 2 (unknown origin) by autoPARsylationassay


Eur J Med Chem 95: 526-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.055
BindingDB Entry DOI: 10.7270/Q28W3G1F
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
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 4n/an/an/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Inhibition of TNKS2


J Med Chem 55: 1360-7 (2012)


Article DOI: 10.1021/jm201510p
BindingDB Entry DOI: 10.7270/Q2WS8V8K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
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 5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS2P catalytic domain autoPARsylation measuring nicotinamide concentration after 2 hrs by LC-MS analysis


J Med Chem 55: 1127-36 (2012)


Article DOI: 10.1021/jm2011222
BindingDB Entry DOI: 10.7270/Q2BK1DCV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM185818
PNG
(US9163003, 30)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2nc3ccccc(=O)c3[nH]2)C1=O |r|
Show InChI InChI=1/C26H28N4O4/c1-34-19-8-6-17(7-9-19)25(32)18-10-13-29(14-11-18)21-12-15-30(26(21)33)16-23-27-20-4-2-3-5-22(31)24(20)28-23/h2-9,18,21H,10-16H2,1H3,(H,27,28)/t21-/s2
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n/an/a 5n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50094922
PNG
(CHEMBL3589247)
Show SMILES O=c1[nH]c(cc2ncccc12)-c1ccccc1
Show InChI InChI=1S/C14H10N2O/c17-14-11-7-4-8-15-13(11)9-12(16-14)10-5-2-1-3-6-10/h1-9H,(H,16,17)
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 catalytic activity


Bioorg Med Chem 23: 3013-32 (2015)


Article DOI: 10.1016/j.bmc.2015.05.005
BindingDB Entry DOI: 10.7270/Q2X35072
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM191199
PNG
(US9181266, 68)
Show SMILES FC(F)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C24H28F2N4O4/c25-20(26)12-30(13-21-27-19-8-11-34-15-18(19)24(33)28-21)22(31)14-29-9-6-17(7-10-29)23(32)16-4-2-1-3-5-16/h1-5,17,20H,6-15H2,(H,27,28,33)
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n/an/a 5n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50234915
PNG
(CHEMBL4069447)
Show SMILES Cc1cccc2c1nc(CCC(=O)Nc1ccc(cc1)C(=O)Nc1cccc3cccnc13)[nH]c2=O
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n/an/a 5.10n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL




J Med Chem 60: 814-820 (2017)

More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50234915
PNG
(CHEMBL4069447)
Show SMILES Cc1cccc2c1nc(CCC(=O)Nc1ccc(cc1)C(=O)Nc1cccc3cccnc13)[nH]c2=O
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University of Bath

Curated by ChEMBL




J Med Chem 60: 814-820 (2017)

More data for this
Ligand-Target Pair
Tankyrase 1/2


(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 5.20n/an/an/an/an/an/a



Health& Science University

Curated by ChEMBL




J Med Chem 60: 1262-1271 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM27566
PNG
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
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US Patent
n/an/a 5.20n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...


US Patent US9255106 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z5N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(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 5.5n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM191219
PNG
(US9181266, 88)
Show SMILES COCCOc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C25H32N4O6/c1-33-12-13-35-19-4-2-17(3-5-19)24(31)18-6-9-29(10-7-18)15-23(30)26-14-22-27-21-8-11-34-16-20(21)25(32)28-22/h2-5,18H,6-16H2,1H3,(H,26,30)(H,27,28,32)
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n/an/a 6n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM185802
PNG
(US9163003, 10)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1/C24H27FN4O4/c25-17-3-1-15(2-4-17)22(30)16-5-9-28(10-6-16)20-7-11-29(24(20)32)13-21-26-19-8-12-33-14-18(19)23(31)27-21/h1-4,16,20H,5-14H2,(H,26,27,31)
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n/an/a 6n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
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