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Compile Data Set for Download or QSAR

Found 501 hits of ic50 data for polymerid = 7859   
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))
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
Poly [ADP-ribose] polymerase tankyrase-1


(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
Poly [ADP-ribose] polymerase tankyrase-1


(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
Poly [ADP-ribose] polymerase tankyrase-1


(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)


Article DOI: 10.1021/acsmedchemlett.6b00017
BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(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)


Article DOI: 10.1021/acsmedchemlett.6b00017
BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50238434
PNG
(CHEMBL4098952)
Show SMILES O=C(N1CCN(CC1)c1ccncn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C23H20N10O/c34-23(32-13-11-31(12-14-32)20-9-10-24-15-25-20)16-5-7-17(8-6-16)26-21-22-28-29-30-33(22)19-4-2-1-3-18(19)27-21/h1-10,15H,11-14H2,(H,26,27)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(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)


Article DOI: 10.1021/acsmedchemlett.6b00017
BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50238419
PNG
(CHEMBL4060134)
Show SMILES Cn1cnc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C24H22N10O2/c1-31-14-19(25-15-31)24(36)33-12-10-32(11-13-33)23(35)16-6-8-17(9-7-16)26-21-22-28-29-30-34(22)20-5-3-2-4-18(20)27-21/h2-9,14-15H,10-13H2,1H3,(H,26,27)
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50238417
PNG
(CHEMBL4094551)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)c1c[nH]cn1
Show InChI InChI=1S/C23H20N10O2/c34-22(31-9-11-32(12-10-31)23(35)18-13-24-14-25-18)15-5-7-16(8-6-15)26-20-21-28-29-30-33(21)19-4-2-1-3-17(19)27-20/h1-8,13-14H,9-12H2,(H,24,25)(H,26,27)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(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)


Article DOI: 10.1021/acsmedchemlett.6b00017
BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(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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n/an/a 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
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50468271
PNG
(CHEMBL4290134)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C18H18N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11H,1-3H3,(H,19,20,21)
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n/an/a 5n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 (1030 to 1317 residues) by fluorescence based activity assay


Eur J Med Chem 142: 506-522 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(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 5.10n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged TNKS1 (1001 to 1327 residues) expressed in baculovirus infected sf9 cells using TACS-Sapphire a...


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
Poly [ADP-ribose] polymerase tankyrase-1


(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 5.10n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged TNKS1 (1001 to 1327 residues) expressed in baculovirus infected sf9 cells using TACS-Sapphire a...


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
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM185805
PNG
(US9163003, 13 | USRE46942, Example 13)
Show SMILES COc1ccc(cc1C)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
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 6n/an/an/an/an/an/a



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 USRE46942 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM185805
PNG
(US9163003, 13 | USRE46942, Example 13)
Show SMILES COc1ccc(cc1C)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
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 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
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50094941
PNG
(CHEMBL3589285)
Show SMILES CN1CCCc2c1cc([nH]c2=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H15BrN2O/c1-18-8-2-3-12-14(18)9-13(17-15(12)19)10-4-6-11(16)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,17,19)
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n/an/a 6.10n/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
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50094924
PNG
(CHEMBL3589258)
Show SMILES Cc1ccc(cc1)-c1cc2cnccc2c(=O)[nH]1
Show InChI InChI=1S/C15H12N2O/c1-10-2-4-11(5-3-10)14-8-12-9-16-7-6-13(12)15(18)17-14/h2-9H,1H3,(H,17,18)
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n/an/a 6.20n/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
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50238434
PNG
(CHEMBL4098952)
Show SMILES O=C(N1CCN(CC1)c1ccncn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C23H20N10O/c34-23(32-13-11-31(12-14-32)20-9-10-24-15-25-20)16-5-7-17(8-6-16)26-21-22-28-29-30-33(22)19-4-2-1-3-18(19)27-21/h1-10,15H,11-14H2,(H,26,27)
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced...


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50495332
PNG
(CHEMBL3109648)
Show SMILES Cc1c(F)ccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(O)=O)c(=O)c12
Show InChI InChI=1S/C26H23F4N3O4/c1-14-20(27)9-10-21-22(14)23(34)33(12-15-5-7-16(8-6-15)24(35)36)25(37)32(21)13-17-3-2-4-19(18(17)11-31)26(28,29)30/h2-4,9-10,15-16H,5-8,12-13H2,1H3,(H,35,36)/t15-,16-
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n/an/a 6.30n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 after 1 to 2 hrs by fluorescence polarization method


ACS Med Chem Lett 5: 10-1 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50238433
PNG
(CHEMBL4080918)
Show SMILES O=C(N1CCN(CC1)c1ccncc1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C24H21N9O/c34-24(32-15-13-31(14-16-32)19-9-11-25-12-10-19)17-5-7-18(8-6-17)26-22-23-28-29-30-33(23)21-4-2-1-3-20(21)27-22/h1-12H,13-16H2,(H,26,27)
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50238416
PNG
(CHEMBL4087470)
Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C23H20N10O/c34-22(31-12-14-32(15-13-31)23-24-10-3-11-25-23)16-6-8-17(9-7-16)26-20-21-28-29-30-33(21)19-5-2-1-4-18(19)27-20/h1-11H,12-15H2,(H,26,27)
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50238449
PNG
(CHEMBL4089774)
Show SMILES O=C1COCCN1c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C18H15N7O2/c26-16-11-27-10-9-24(16)13-7-5-12(6-8-13)19-17-18-21-22-23-25(18)15-4-2-1-3-14(15)20-17/h1-8H,9-11H2,(H,19,20)
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50495334
PNG
(CHEMBL3109647)
Show SMILES OC(=O)[C@H]1CC[C@H](Cn2c(=O)n(Cc3cccc(c3C#N)C(F)(F)F)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C25H22F3N3O4/c26-25(27,28)20-6-3-4-17(19(20)12-29)14-30-21-7-2-1-5-18(21)22(32)31(24(30)35)13-15-8-10-16(11-9-15)23(33)34/h1-7,15-16H,8-11,13-14H2,(H,33,34)/t15-,16-
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n/an/a 7.90n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 after 1 to 2 hrs by fluorescence polarization method


ACS Med Chem Lett 5: 10-1 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50238448
PNG
(CHEMBL4083872)
Show SMILES O=C1CCCN1c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C18H15N7O/c26-16-6-3-11-24(16)13-9-7-12(8-10-13)19-17-18-21-22-23-25(18)15-5-2-1-4-14(15)20-17/h1-2,4-5,7-10H,3,6,11H2,(H,19,20)
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50238418
PNG
(CHEMBL4096094)
Show SMILES Cn1ccc(n1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C24H22N10O2/c1-31-11-10-19(28-31)24(36)33-14-12-32(13-15-33)23(35)16-6-8-17(9-7-16)25-21-22-27-29-30-34(22)20-5-3-2-4-18(20)26-21/h2-11H,12-15H2,1H3,(H,25,26)
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(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 8n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human TNKS1 (1091 to 1325 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-1


(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 8.10n/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)


Article DOI: 10.1021/acsmedchemlett.6b00017
BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(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 8.5n/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)


Article DOI: 10.1021/acsmedchemlett.6b00017
BindingDB Entry DOI: 10.7270/Q2F76FFJ
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50499821
PNG
(CHEMBL3740104)
Show SMILES O=C(N1CCN(CC1)c1ncccc1C#N)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C26H22N6O2/c27-17-20-7-4-10-28-24(20)31-11-13-32(14-12-31)26(34)19-6-3-5-18(15-19)16-23-21-8-1-2-9-22(21)25(33)30-29-23/h1-10,15H,11-14,16H2,(H,30,33)
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 (1001 to 1327 residues) expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by s...


Bioorg Med Chem Lett 25: 5743-7 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1


(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 9.10n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged TNKS1 (1001 to 1327 residues) expressed in baculovirus infected sf9 cells using TACS-Sapphire a...


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-1


(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 9.10n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged TNKS1 (1001 to 1327 residues) expressed in baculovirus infected sf9 cells using TACS-Sapphire a...


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-1


(Homo sapiens (Human))
BDBM404370
PNG
(2-{(S)-3-[4-(4-Methoxy-benzoyl)-piperidin-1-yl]-2-...)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2cc3ccccc(=O)c3[nH]2)C1=O
Show InChI InChI=1/C27H29N3O4/c1-34-22-8-6-18(7-9-22)26(32)19-10-13-29(14-11-19)23-12-15-30(27(23)33)17-21-16-20-4-2-3-5-24(31)25(20)28-21/h2-9,16,19,23,28H,10-15,17H2,1H3/t23-/s2
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n/an/a 9.5n/an/an/an/an/an/a



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 USRE46942 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(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
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 9.5n/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
Poly [ADP-ribose] polymerase tankyrase-1


(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 10n/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-1


(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 10n/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-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-1


(Homo sapiens (Human))
BDBM50238437
PNG
(CHEMBL4068794)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)c1cc[nH]n1
Show InChI InChI=1S/C23H20N10O2/c34-22(31-11-13-32(14-12-31)23(35)18-9-10-24-27-18)15-5-7-16(8-6-15)25-20-21-28-29-30-33(21)19-4-2-1-3-17(19)26-20/h1-10H,11-14H2,(H,24,27)(H,25,26)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50238447
PNG
(CHEMBL4101869)
Show SMILES CN(C(C)=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C17H15N7O/c1-11(25)23(2)13-9-7-12(8-10-13)18-16-17-20-21-22-24(17)15-6-4-3-5-14(15)19-16/h3-10H,1-2H3,(H,18,19)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against calf intestine adenosine deaminase enzyme


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(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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n/an/a 10.4n/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
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM318008
PNG
(2-[4-[(3-Chloro-2-pyridyl)methyl]piperazin-1-yl]-8...)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2ncccc2Cl)CC1
Show InChI InChI=1S/C18H23ClN6O/c1-23-7-3-4-13-16(23)21-18(22-17(13)26)25-10-8-24(9-11-25)12-15-14(19)5-2-6-20-15/h2,5-6H,3-4,7-12H2,1H3,(H,21,22,26)
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n/an/a 10.7n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM318009
PNG
(2-[4-[(3-Bromo-2- pyridyl)methyl]piperazin-1- yl]-...)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2ncccc2Br)CC1
Show InChI InChI=1S/C18H23BrN6O/c1-23-7-3-4-13-16(23)21-18(22-17(13)26)25-10-8-24(9-11-25)12-15-14(19)5-2-6-20-15/h2,5-6H,3-4,7-12H2,1H3,(H,21,22,26)
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n/an/a 10.9n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(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 11n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of tankyrase1 (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)
Poly [ADP-ribose] polymerase tankyrase-1


(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 11n/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (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)
Poly [ADP-ribose] polymerase tankyrase-1


(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 11n/an/an/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Tankyrases 1 (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
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 11n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant TNKS1 incubated for 1 hr using NAD+, biotinylated NAD+ and activated DNA by luminescence based assay


Eur J Med Chem 87: 611-23 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1


(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 11n/an/an/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Inhibition of TNKS1


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)
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 11n/an/an/an/an/an/a



Health & Science University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNKS1 ADP-ribosyltransferase/sterile alpha motif domain expressed in Escherichia coli BL21(DE3) preincubated for 15 m...


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
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1


(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 11n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of TNKS1


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)
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50007582
PNG
(CHEMBL3238252)
Show SMILES Cc1cc(NCCc2ccc(O)cc2)c2nncn2n1
Show InChI InChI=1S/C14H15N5O/c1-10-8-13(14-17-16-9-19(14)18-10)15-7-6-11-2-4-12(20)5-3-11/h2-5,8-9,15,20H,6-7H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNKS-1


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
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