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Found 671 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-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
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50234915
PNG
(CHEMBL4069447)
Show SMILES Cc1cccc2c1nc(CCC(=O)Nc1ccc(cc1)C(=O)Nc1cccc3cccnc13)[nH]c2=O
Show InChI InChI=1S/C28H23N5O3/c1-17-5-2-8-21-25(17)32-23(33-28(21)36)14-15-24(34)30-20-12-10-19(11-13-20)27(35)31-22-9-3-6-18-7-4-16-29-26(18)22/h2-13,16H,14-15H2,1H3,(H,30,34)(H,31,35)(H,32,33,36)
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n/an/a 0.100n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-GST-tagged TNKS2 (849 to 1166 residues) expressed in baculovirus infected Sf9 cells using biotinylated...


J Med Chem 60: 814-820 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01574
BindingDB Entry DOI: 10.7270/Q20R9RPP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50234915
PNG
(CHEMBL4069447)
Show SMILES Cc1cccc2c1nc(CCC(=O)Nc1ccc(cc1)C(=O)Nc1cccc3cccnc13)[nH]c2=O
Show InChI InChI=1S/C28H23N5O3/c1-17-5-2-8-21-25(17)32-23(33-28(21)36)14-15-24(34)30-20-12-10-19(11-13-20)27(35)31-22-9-3-6-18-7-4-16-29-26(18)22/h2-13,16H,14-15H2,1H3,(H,30,34)(H,31,35)(H,32,33,36)
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n/an/a 0.100n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-GST-tagged TNKS2 (849 to 1166 residues) expressed in baculovirus infected Sf9 cells using biotinylated...


J Med Chem 60: 814-820 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01574
BindingDB Entry DOI: 10.7270/Q20R9RPP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435386
PNG
(US10570116, Compound C2)
Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C23H27N5O3/c1-15(11-20-25-19-6-4-3-5-18(19)23(31)26-20)12-21(29)28-9-7-16(8-10-28)22(30)17-13-24-27(2)14-17/h3-6,13-16H,7-12H2,1-2H3,(H,25,26,31)/t15-/m0/s1
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n/an/a 0.190n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435395
PNG
(US10570116, Compound C6)
Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2c(C)cc(F)cc2c(=O)[nH]1
Show InChI InChI=1S/C24H28FN5O3/c1-14(8-20-27-22-15(2)10-18(25)11-19(22)24(33)28-20)9-21(31)30-6-4-16(5-7-30)23(32)17-12-26-29(3)13-17/h10-14,16H,4-9H2,1-3H3,(H,27,28,33)/t14-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50234916
PNG
(CHEMBL4098188)
Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C27H21N5O3/c33-24(15-14-23-30-21-8-2-1-7-20(21)27(35)32-23)29-19-12-10-18(11-13-19)26(34)31-22-9-3-5-17-6-4-16-28-25(17)22/h1-13,16H,14-15H2,(H,29,33)(H,31,34)(H,30,32,35)
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n/an/a 0.200n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-GST-tagged TNKS2 (849 to 1166 residues) expressed in baculovirus infected Sf9 cells using biotinylated...


J Med Chem 60: 814-820 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01574
BindingDB Entry DOI: 10.7270/Q20R9RPP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50234916
PNG
(CHEMBL4098188)
Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C27H21N5O3/c33-24(15-14-23-30-21-8-2-1-7-20(21)27(35)32-23)29-19-12-10-18(11-13-19)26(34)31-22-9-3-5-17-6-4-16-28-25(17)22/h1-13,16H,14-15H2,(H,29,33)(H,31,34)(H,30,32,35)
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n/an/a 0.204n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-GST-tagged TNKS2 (849 to 1166 residues) expressed in baculovirus infected Sf9 cells using biotinylated...


J Med Chem 60: 814-820 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01574
BindingDB Entry DOI: 10.7270/Q20R9RPP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435441
PNG
(US10570116, Compound C49)
Show SMILES Cn1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1cc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C25H30N4O3/c1-25(2,13-20-12-18-6-4-5-7-21(18)24(32)27-20)14-22(30)29-10-8-17(9-11-29)23(31)19-15-26-28(3)16-19/h4-7,12,15-17H,8-11,13-14H2,1-3H3,(H,27,32)
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n/an/a 0.210n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435439
PNG
(US10570116, Compound C47)
Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cccc(c1)C(O)=O)Cc1nc2c(C)cc(F)cc2c(=O)[nH]1
Show InChI InChI=1S/C27H28FN3O5/c1-15(10-22-29-24-16(2)12-20(28)14-21(24)26(34)30-22)11-23(32)31-8-6-17(7-9-31)25(33)18-4-3-5-19(13-18)27(35)36/h3-5,12-15,17H,6-11H2,1-2H3,(H,35,36)(H,29,30,34)/t15-/m0/s1
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n/an/a 0.220n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435442
PNG
(US10570116, Compound C50)
Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1cc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C24H28N4O3/c1-16(11-20-13-18-5-3-4-6-21(18)24(31)26-20)12-22(29)28-9-7-17(8-10-28)23(30)19-14-25-27(2)15-19/h3-6,13-17H,7-12H2,1-2H3,(H,26,31)/t16-/m0/s1
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n/an/a 0.240n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435444
PNG
(US10570116, Compound C52)
Show SMILES CC(C)(CC(=O)N1CCC(CC1)C(=O)c1ccc(cc1)C(O)=O)Cc1cc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C28H30N2O5/c1-28(2,16-22-15-21-5-3-4-6-23(21)26(33)29-22)17-24(31)30-13-11-19(12-14-30)25(32)18-7-9-20(10-8-18)27(34)35/h3-10,15,19H,11-14,16-17H2,1-2H3,(H,29,33)(H,34,35)
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n/an/a 0.25n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435430
PNG
(US10570116, Compound C38)
Show SMILES COC(=O)c1ccc(cc1C)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C29H33N3O5/c1-18-15-20(9-10-21(18)28(36)37-4)26(34)19-11-13-32(14-12-19)25(33)17-29(2,3)16-24-30-23-8-6-5-7-22(23)27(35)31-24/h5-10,15,19H,11-14,16-17H2,1-4H3,(H,30,31,35)
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n/an/a 0.320n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435409
PNG
(US10570116, Compound C17)
Show SMILES Cn1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2n(C)ccc2c(=O)[nH]1
Show InChI InChI=1S/C23H30N6O3/c1-23(2,11-18-25-21-17(22(32)26-18)7-8-27(21)3)12-19(30)29-9-5-15(6-10-29)20(31)16-13-24-28(4)14-16/h7-8,13-15H,5-6,9-12H2,1-4H3,(H,25,26,32)
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n/an/a 0.330n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435410
PNG
(US10570116, Compound C18)
Show SMILES CCn1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2n(C)ccc2c(=O)[nH]1
Show InChI InChI=1S/C24H32N6O3/c1-5-30-15-17(14-25-30)21(32)16-6-10-29(11-7-16)20(31)13-24(2,3)12-19-26-22-18(23(33)27-19)8-9-28(22)4/h8-9,14-16H,5-7,10-13H2,1-4H3,(H,26,27,33)
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n/an/a 0.360n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435384
PNG
(US10570116, Compound C1)
Show SMILES Cn1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C24H29N5O3/c1-24(2,12-20-26-19-7-5-4-6-18(19)23(32)27-20)13-21(30)29-10-8-16(9-11-29)22(31)17-14-25-28(3)15-17/h4-7,14-16H,8-13H2,1-3H3,(H,26,27,32)
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n/an/a 0.370n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435403
PNG
(US10570116, Compound C11)
Show SMILES CC(C)C[C@@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C26H33N5O3/c1-17(2)12-18(13-23-28-22-7-5-4-6-21(22)26(34)29-23)14-24(32)31-10-8-19(9-11-31)25(33)20-15-27-30(3)16-20/h4-7,15-19H,8-14H2,1-3H3,(H,28,29,34)/t18-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435408
PNG
(US10570116, Compound C16)
Show SMILES COc1ccc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2n(C)ccc2c(=O)[nH]1
Show InChI InChI=1S/C25H31N5O4/c1-25(2,13-19-27-23-18(24(33)28-19)9-10-29(23)3)14-21(31)30-11-7-16(8-12-30)22(32)17-5-6-20(34-4)26-15-17/h5-6,9-10,15-16H,7-8,11-14H2,1-4H3,(H,27,28,33)
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n/an/a 0.410n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435425
PNG
(US10570116, Compound C33)
Show SMILES CC(C)(CC(=O)N1CCC(CC1)C(=O)c1ccc(cc1)C(O)=O)Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C27H29N3O5/c1-27(2,15-22-28-21-6-4-3-5-20(21)25(33)29-22)16-23(31)30-13-11-18(12-14-30)24(32)17-7-9-19(10-8-17)26(34)35/h3-10,18H,11-16H2,1-2H3,(H,34,35)(H,28,29,33)
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n/an/a 0.450n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435393
PNG
(US10570116, Compound C4)
Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(c1)C(C)C)Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C25H31N5O3/c1-16(2)30-15-19(14-26-30)24(32)18-8-10-29(11-9-18)23(31)13-17(3)12-22-27-21-7-5-4-6-20(21)25(33)28-22/h4-7,14-18H,8-13H2,1-3H3,(H,27,28,33)/t17-/m0/s1
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n/an/a 0.450n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-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
Show InChI InChI=1S/C25H28N6O/c1-15-11-22(31-13-16(2)27-17(3)14-31)26-12-21(15)18-5-7-19(8-6-18)23-28-24-20(25(32)29-23)9-10-30(24)4/h5-12,16-17,27H,13-14H2,1-4H3,(H,28,29,32)/t16-,17+
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n/an/a 0.479n/an/an/an/an/an/a



Health & Science University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNKS2 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biot...


J Med Chem 60: 1262-1271 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00990
BindingDB Entry DOI: 10.7270/Q28054VV
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435426
PNG
(US10570116, Compound C34)
Show SMILES COC(=O)c1cccc(c1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C28H31N3O5/c1-28(2,16-23-29-22-10-5-4-9-21(22)26(34)30-23)17-24(32)31-13-11-18(12-14-31)25(33)19-7-6-8-20(15-19)27(35)36-3/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,29,30,34)
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US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435399
PNG
(US10570116, Compound C8)
Show SMILES CC(C)[C@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C25H31N5O3/c1-16(2)18(12-22-27-21-7-5-4-6-20(21)25(33)28-22)13-23(31)30-10-8-17(9-11-30)24(32)19-14-26-29(3)15-19/h4-7,14-18H,8-13H2,1-3H3,(H,27,28,33)/t18-/m0/s1
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US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435437
PNG
(US10570116, Compound C45)
Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cccc(c1)C(O)=O)Cc1nc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C27H29N3O5/c1-16(13-22-28-24-17(2)5-3-8-21(24)26(33)29-22)14-23(31)30-11-9-18(10-12-30)25(32)19-6-4-7-20(15-19)27(34)35/h3-8,15-16,18H,9-14H2,1-2H3,(H,34,35)(H,28,29,33)/t16-/m0/s1
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US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435424
PNG
(US10570116, Compound C32)
Show SMILES COC(=O)c1ccc(cc1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C28H31N3O5/c1-28(2,16-23-29-22-7-5-4-6-21(22)26(34)30-23)17-24(32)31-14-12-19(13-15-31)25(33)18-8-10-20(11-9-18)27(35)36-3/h4-11,19H,12-17H2,1-3H3,(H,29,30,34)
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US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435422
PNG
(US10570116, Compound C30)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)N(C)CCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C25H28N4O4/c1-28(14-13-22-26-21-6-4-3-5-20(21)24(31)27-22)25(32)29-15-11-18(12-16-29)23(30)17-7-9-19(33-2)10-8-17/h3-10,18H,11-16H2,1-2H3,(H,26,27,31)
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US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435411
PNG
(US10570116, Compound C19)
Show SMILES CC(C)n1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2n(C)ccc2c(=O)[nH]1
Show InChI InChI=1S/C25H34N6O3/c1-16(2)31-15-18(14-26-31)22(33)17-6-10-30(11-7-17)21(32)13-25(3,4)12-20-27-23-19(24(34)28-20)8-9-29(23)5/h8-9,14-17H,6-7,10-13H2,1-5H3,(H,27,28,34)
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US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435396
PNG
(US10570116, Compound C7)
Show SMILES C[C@@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2c(C)cc(F)cc2c(=O)[nH]1
Show InChI InChI=1S/C24H28FN5O3/c1-14(8-20-27-22-15(2)10-18(25)11-19(22)24(33)28-20)9-21(31)30-6-4-16(5-7-30)23(32)17-12-26-29(3)13-17/h10-14,16H,4-9H2,1-3H3,(H,27,28,33)/t14-/m1/s1
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US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-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
Show InChI InChI=1S/C25H28N6O/c1-15-11-22(31-13-16(2)27-17(3)14-31)26-12-21(15)18-5-7-19(8-6-18)23-28-24-20(25(32)29-23)9-10-30(24)4/h5-12,16-17,27H,13-14H2,1-4H3,(H,28,29,32)/t16-,17+
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n/an/a 0.600n/an/an/an/an/an/a



Health & Science University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNKS2 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biot...


J Med Chem 60: 1262-1271 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00990
BindingDB Entry DOI: 10.7270/Q28054VV
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435431
PNG
(US10570116, Compound C39)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C28H31N3O5/c1-17-14-19(8-9-20(17)27(35)36)25(33)18-10-12-31(13-11-18)24(32)16-28(2,3)15-23-29-22-7-5-4-6-21(22)26(34)30-23/h4-9,14,18H,10-13,15-16H2,1-3H3,(H,35,36)(H,29,30,34)
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Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435435
PNG
(US10570116, Compound C43)
Show SMILES COC(=O)c1cccc(c1)C(=O)C1CCN(CC1)C(=O)C[C@@H](C)Cc1nc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C28H31N3O5/c1-17(14-23-29-25-18(2)6-4-9-22(25)27(34)30-23)15-24(32)31-12-10-19(11-13-31)26(33)20-7-5-8-21(16-20)28(35)36-3/h4-9,16-17,19H,10-15H2,1-3H3,(H,29,30,34)/t17-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435445
PNG
(US10570116, Compound C53)
Show SMILES CC(C)(CC(=O)N1CCC(CC1)C(=O)c1cccc(c1)C(O)=O)Cc1cc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C28H30N2O5/c1-28(2,16-22-15-19-6-3-4-9-23(19)26(33)29-22)17-24(31)30-12-10-18(11-13-30)25(32)20-7-5-8-21(14-20)27(34)35/h3-9,14-15,18H,10-13,16-17H2,1-2H3,(H,29,33)(H,34,35)
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US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435443
PNG
(US10570116, Compound C51)
Show SMILES C[C@@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1cc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C24H28N4O3/c1-16(11-20-13-18-5-3-4-6-21(18)24(31)26-20)12-22(29)28-9-7-17(8-10-28)23(30)19-14-25-27(2)15-19/h3-6,13-17H,7-12H2,1-2H3,(H,26,31)/t16-/m1/s1
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US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435412
PNG
(US10570116, Compound C20)
Show SMILES Cn1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2n(C)ncc2c(=O)[nH]1
Show InChI InChI=1S/C22H29N7O3/c1-22(2,9-17-25-20-16(21(32)26-17)12-24-28(20)4)10-18(30)29-7-5-14(6-8-29)19(31)15-11-23-27(3)13-15/h11-14H,5-10H2,1-4H3,(H,25,26,32)
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US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435421
PNG
(US10570116, Compound C29)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)NCCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C24H26N4O4/c1-32-18-8-6-16(7-9-18)22(29)17-11-14-28(15-12-17)24(31)25-13-10-21-26-20-5-3-2-4-19(20)23(30)27-21/h2-9,17H,10-15H2,1H3,(H,25,31)(H,26,27,30)
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US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435433
PNG
(US10570116, Compound C41)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C29H33N3O5/c1-17-6-5-7-22-25(17)30-23(31-27(22)35)15-29(3,4)16-24(33)32-12-10-19(11-13-32)26(34)20-8-9-21(28(36)37)18(2)14-20/h5-9,14,19H,10-13,15-16H2,1-4H3,(H,36,37)(H,30,31,35)
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US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435404
PNG
(US10570116, Compound C12)
Show SMILES Cn1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC1(Cc2nc3ccccc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C24H27N5O3/c1-28-15-17(14-25-28)22(31)16-6-10-29(11-7-16)21(30)13-24(8-9-24)12-20-26-19-5-3-2-4-18(19)23(32)27-20/h2-5,14-16H,6-13H2,1H3,(H,26,27,32)
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n/an/a 1n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(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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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
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435434
PNG
(US10570116, Compound C42)
Show SMILES COC(=O)c1cccc(c1)C(=O)C1CCN(CC1)C(=O)C[C@H](C)Cc1nc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C28H31N3O5/c1-17(14-23-29-25-18(2)6-4-9-22(25)27(34)30-23)15-24(32)31-12-10-19(11-13-31)26(33)20-7-5-8-21(16-20)28(35)36-3/h4-9,16-17,19H,10-15H2,1-3H3,(H,29,30,34)/t17-/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(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)


Article DOI: 10.1021/acsmedchemlett.6b00017
BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(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
Poly [ADP-ribose] polymerase tankyrase-2


(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)


Article DOI: 10.1021/acsmedchemlett.6b00017
BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(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)


Article DOI: 10.1021/acsmedchemlett.6b00017
BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435414
PNG
(US10570116, Compound C22)
Show SMILES COc1ncc(cc1C)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2n(C)ncc2c(=O)[nH]1
Show InChI InChI=1S/C25H32N6O4/c1-15-10-17(13-26-24(15)35-5)21(33)16-6-8-31(9-7-16)20(32)12-25(2,3)11-19-28-22-18(23(34)29-19)14-27-30(22)4/h10,13-14,16H,6-9,11-12H2,1-5H3,(H,28,29,34)
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n/an/a 1.80n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435390
PNG
(US10570116, Compound C3)
Show SMILES C[C@@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C23H27N5O3/c1-15(11-20-25-19-6-4-3-5-18(19)23(31)26-20)12-21(29)28-9-7-16(8-10-28)22(30)17-13-24-27(2)14-17/h3-6,13-16H,7-12H2,1-2H3,(H,25,26,31)/t15-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(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)


Article DOI: 10.1021/acsmedchemlett.6b00017
BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(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)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435429
PNG
(US10570116, Compound C37)
Show SMILES Cc1cccc2c1nc(CC(C)(C)CC(=O)N1CCC(CC1)C(=O)c1cccc(c1)C(O)=O)[nH]c2=O
Show InChI InChI=1S/C28H31N3O5/c1-17-6-4-9-21-24(17)29-22(30-26(21)34)15-28(2,3)16-23(32)31-12-10-18(11-13-31)25(33)19-7-5-8-20(14-19)27(35)36/h4-9,14,18H,10-13,15-16H2,1-3H3,(H,35,36)(H,29,30,34)
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n/an/a 2n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435428
PNG
(US10570116, Compound C36)
Show SMILES COC(=O)c1cccc(c1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C29H33N3O5/c1-18-7-5-10-22-25(18)30-23(31-27(22)35)16-29(2,3)17-24(33)32-13-11-19(12-14-32)26(34)20-8-6-9-21(15-20)28(36)37-4/h5-10,15,19H,11-14,16-17H2,1-4H3,(H,30,31,35)
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n/an/a 2.10n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435413
PNG
(US10570116, Compound C21)
Show SMILES COc1ccc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2n(C)ncc2c(=O)[nH]1
Show InChI InChI=1S/C24H30N6O4/c1-24(2,11-18-27-22-17(23(33)28-18)14-26-29(22)3)12-20(31)30-9-7-15(8-10-30)21(32)16-5-6-19(34-4)25-13-16/h5-6,13-15H,7-12H2,1-4H3,(H,27,28,33)
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n/an/a 2.10n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435415
PNG
(US10570116, Compound C23)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)COCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C24H25N3O5/c1-31-18-8-6-16(7-9-18)23(29)17-10-12-27(13-11-17)22(28)15-32-14-21-25-20-5-3-2-4-19(20)24(30)26-21/h2-9,17H,10-15H2,1H3,(H,25,26,30)
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n/an/a 2.10n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM435423
PNG
(US10570116, Compound C31)
Show SMILES CN(CCc1nc2ccccc2c(=O)[nH]1)C(=O)N1CCC(CC1)C(=O)c1cnn(C)c1
Show InChI InChI=1S/C22H26N6O3/c1-26(10-9-19-24-18-6-4-3-5-17(18)21(30)25-19)22(31)28-11-7-15(8-12-28)20(29)16-13-23-27(2)14-16/h3-6,13-15H,7-12H2,1-2H3,(H,24,25,30)
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n/an/a 2.20n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...


US Patent US10570116 (2020)


BindingDB Entry DOI: 10.7270/Q2J968R4
More data for this
Ligand-Target Pair
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