Found 297 hits with Last Name = 'obaji' and Initial = 'e' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250875
(CHEMBL4095003)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:20.25,wD:18.20,(25.39,-29.03,;24.05,-29.8,;24.05,-31.34,;22.72,-32.11,;21.39,-31.34,;21.39,-29.8,;22.72,-29.03,;22.72,-27.49,;23.97,-26.59,;23.49,-25.13,;21.95,-25.13,;21.48,-26.59,;20.01,-27.07,;19.69,-28.57,;18.22,-29.05,;17.08,-28.02,;17.4,-26.52,;18.87,-26.04,;25.43,-27.07,;26.13,-28.44,;27.5,-27.74,;26.8,-26.37,;28.97,-28.22,;29.44,-29.68,;28.67,-31.01,;29.44,-32.35,;30.98,-32.35,;31.75,-31.01,;30.98,-29.68,;31.46,-28.22,;30.21,-27.31,;30.21,-25.77,;31.75,-33.68,;32.52,-35.01,)| Show InChI InChI=1S/C24H17ClN8O/c25-17-3-1-2-4-20(17)33-22(30-31-23(33)18-7-8-27-13-28-18)15-10-16(11-15)32-21-6-5-14(12-26)9-19(21)29-24(32)34/h1-9,13,15-16H,10-11H2,(H,29,34)/t15-,16- | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 (873 to 1162 residues) assessed as reduction in NAD+ consumption by fluorescence assay |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883
BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250878
(CHEMBL4074540)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccccc2[nH]c1=O |r,wU:20.25,wD:18.20,(23.76,-26.81,;22.43,-27.58,;22.43,-29.12,;21.1,-29.89,;19.76,-29.12,;19.76,-27.58,;21.1,-26.81,;21.1,-25.27,;22.34,-24.37,;21.87,-22.9,;20.33,-22.9,;19.85,-24.37,;18.38,-24.85,;18.06,-26.35,;16.6,-26.83,;15.46,-25.8,;15.78,-24.29,;17.24,-23.81,;23.81,-24.85,;24.5,-26.22,;25.88,-25.51,;25.18,-24.14,;27.34,-25.99,;27.81,-27.46,;27.05,-28.79,;27.81,-30.12,;29.35,-30.12,;30.12,-28.79,;29.35,-27.46,;29.83,-25.99,;28.58,-25.09,;28.58,-23.55,)| Show InChI InChI=1S/C23H18ClN7O/c24-16-5-1-3-7-19(16)31-21(28-29-22(31)18-9-10-25-13-26-18)14-11-15(12-14)30-20-8-4-2-6-17(20)27-23(30)32/h1-10,13-15H,11-12H2,(H,27,32)/t14-,15- | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
Similars
| Article
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| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 (873 to 1162 residues) assessed as reduction in NAD+ consumption by fluorescence assay |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883
BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250875
(CHEMBL4095003)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:20.25,wD:18.20,(25.39,-29.03,;24.05,-29.8,;24.05,-31.34,;22.72,-32.11,;21.39,-31.34,;21.39,-29.8,;22.72,-29.03,;22.72,-27.49,;23.97,-26.59,;23.49,-25.13,;21.95,-25.13,;21.48,-26.59,;20.01,-27.07,;19.69,-28.57,;18.22,-29.05,;17.08,-28.02,;17.4,-26.52,;18.87,-26.04,;25.43,-27.07,;26.13,-28.44,;27.5,-27.74,;26.8,-26.37,;28.97,-28.22,;29.44,-29.68,;28.67,-31.01,;29.44,-32.35,;30.98,-32.35,;31.75,-31.01,;30.98,-29.68,;31.46,-28.22,;30.21,-27.31,;30.21,-25.77,;31.75,-33.68,;32.52,-35.01,)| Show InChI InChI=1S/C24H17ClN8O/c25-17-3-1-2-4-20(17)33-22(30-31-23(33)18-7-8-27-13-28-18)15-10-16(11-15)32-21-6-5-14(12-26)9-19(21)29-24(32)34/h1-9,13,15-16H,10-11H2,(H,29,34)/t15-,16- | PDB
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| PC cid
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| PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description
Inhibition of TNKS2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Wnt3a-induced Wnt/beta-catenin signaling after 24 hrs by luc... |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883
BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50250875
(CHEMBL4095003)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:20.25,wD:18.20,(25.39,-29.03,;24.05,-29.8,;24.05,-31.34,;22.72,-32.11,;21.39,-31.34,;21.39,-29.8,;22.72,-29.03,;22.72,-27.49,;23.97,-26.59,;23.49,-25.13,;21.95,-25.13,;21.48,-26.59,;20.01,-27.07,;19.69,-28.57,;18.22,-29.05,;17.08,-28.02,;17.4,-26.52,;18.87,-26.04,;25.43,-27.07,;26.13,-28.44,;27.5,-27.74,;26.8,-26.37,;28.97,-28.22,;29.44,-29.68,;28.67,-31.01,;29.44,-32.35,;30.98,-32.35,;31.75,-31.01,;30.98,-29.68,;31.46,-28.22,;30.21,-27.31,;30.21,-25.77,;31.75,-33.68,;32.52,-35.01,)| Show InChI InChI=1S/C24H17ClN8O/c25-17-3-1-2-4-20(17)33-22(30-31-23(33)18-7-8-27-13-28-18)15-10-16(11-15)32-21-6-5-14(12-26)9-19(21)29-24(32)34/h1-9,13,15-16H,10-11H2,(H,29,34)/t15-,16- | PDB
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| PC cid
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human 6xHis-tagged TNKS1 ART domain (1030 to 1317 residues) expressed in Escherichia coli Rosetta2 (DE3) cells using NAD+ a... |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883
BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50250875
(CHEMBL4095003)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:20.25,wD:18.20,(25.39,-29.03,;24.05,-29.8,;24.05,-31.34,;22.72,-32.11,;21.39,-31.34,;21.39,-29.8,;22.72,-29.03,;22.72,-27.49,;23.97,-26.59,;23.49,-25.13,;21.95,-25.13,;21.48,-26.59,;20.01,-27.07,;19.69,-28.57,;18.22,-29.05,;17.08,-28.02,;17.4,-26.52,;18.87,-26.04,;25.43,-27.07,;26.13,-28.44,;27.5,-27.74,;26.8,-26.37,;28.97,-28.22,;29.44,-29.68,;28.67,-31.01,;29.44,-32.35,;30.98,-32.35,;31.75,-31.01,;30.98,-29.68,;31.46,-28.22,;30.21,-27.31,;30.21,-25.77,;31.75,-33.68,;32.52,-35.01,)| Show InChI InChI=1S/C24H17ClN8O/c25-17-3-1-2-4-20(17)33-22(30-31-23(33)18-7-8-27-13-28-18)15-10-16(11-15)32-21-6-5-14(12-26)9-19(21)29-24(32)34/h1-9,13,15-16H,10-11H2,(H,29,34)/t15-,16- | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human 6xHis-tagged TNKS1 ART domain (1030 to 1317 residues) expressed in Escherichia coli Rosetta2 (DE3) cells using NAD+ a... |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883
BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50136772
(CHEMBL3752492)Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccncn1)c1ccccc1Cl Show InChI InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31) | PDB
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| CHEMBL
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| PDB
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 by fluorescence analysis |
Bioorg Med Chem Lett 26: 328-33 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50136772
(CHEMBL3752492)Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccncn1)c1ccccc1Cl Show InChI InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31) | PDB
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| CHEMBL
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| PDB
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 by fluorescence analysis |
Bioorg Med Chem Lett 26: 328-33 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250875
(CHEMBL4095003)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:20.25,wD:18.20,(25.39,-29.03,;24.05,-29.8,;24.05,-31.34,;22.72,-32.11,;21.39,-31.34,;21.39,-29.8,;22.72,-29.03,;22.72,-27.49,;23.97,-26.59,;23.49,-25.13,;21.95,-25.13,;21.48,-26.59,;20.01,-27.07,;19.69,-28.57,;18.22,-29.05,;17.08,-28.02,;17.4,-26.52,;18.87,-26.04,;25.43,-27.07,;26.13,-28.44,;27.5,-27.74,;26.8,-26.37,;28.97,-28.22,;29.44,-29.68,;28.67,-31.01,;29.44,-32.35,;30.98,-32.35,;31.75,-31.01,;30.98,-29.68,;31.46,-28.22,;30.21,-27.31,;30.21,-25.77,;31.75,-33.68,;32.52,-35.01,)| Show InChI InChI=1S/C24H17ClN8O/c25-17-3-1-2-4-20(17)33-22(30-31-23(33)18-7-8-27-13-28-18)15-10-16(11-15)32-21-6-5-14(12-26)9-19(21)29-24(32)34/h1-9,13,15-16H,10-11H2,(H,29,34)/t15-,16- | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description
Inhibition of TNKS2 (unknown origin) transfected in human SW480 cells assessed as inhibition of Wnt3a-induced Wnt/beta-catenin signaling after 48 hrs... |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883
BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50104286
(CHEMBL3593715)Show InChI InChI=1S/C18H23N5O/c24-17-15-3-1-2-4-16(15)20-18(21-17)23-11-9-22(10-12-23)13-14-5-7-19-8-6-14/h5-8H,1-4,9-13H2,(H,20,21,24) | PDB
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| CHEMBL
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| PDB
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| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substrate after 20 mins incubation by fluorescence assay |
Bioorg Med Chem 23: 4139-49 (2015)
Article DOI: 10.1016/j.bmc.2015.06.063
BindingDB Entry DOI: 10.7270/Q2W66NJ2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50104286
(CHEMBL3593715)Show InChI InChI=1S/C18H23N5O/c24-17-15-3-1-2-4-16(15)20-18(21-17)23-11-9-22(10-12-23)13-14-5-7-19-8-6-14/h5-8H,1-4,9-13H2,(H,20,21,24) | PDB
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| CHEMBL
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| PDB
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| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substrate after 20 mins incubation by fluorescence assay |
Bioorg Med Chem 23: 4139-49 (2015)
Article DOI: 10.1016/j.bmc.2015.06.063
BindingDB Entry DOI: 10.7270/Q2W66NJ2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250876
(CHEMBL4102763)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:21.27,wD:18.20,(22.84,-14.09,;21.51,-14.87,;21.51,-16.4,;20.17,-17.18,;18.84,-16.4,;18.84,-14.87,;20.17,-14.09,;20.17,-12.09,;21.42,-11.18,;20.95,-9.72,;19.4,-9.72,;18.93,-11.18,;17.46,-11.67,;17.14,-13.17,;15.68,-13.64,;14.53,-12.62,;14.85,-11.11,;16.32,-10.63,;22.88,-11.67,;23.21,-13.17,;24.67,-13.64,;25.82,-12.62,;25.5,-11.11,;24.03,-10.63,;27.28,-13.09,;27.76,-14.55,;26.98,-15.89,;27.76,-17.22,;29.3,-17.22,;30.07,-15.89,;29.3,-14.55,;29.78,-13.09,;28.53,-12.18,;28.53,-10.65,;30.07,-18.57,;30.84,-19.91,)| Show InChI InChI=1S/C26H21ClN8O/c27-19-3-1-2-4-22(19)35-24(32-33-25(35)20-11-12-29-15-30-20)17-6-8-18(9-7-17)34-23-10-5-16(14-28)13-21(23)31-26(34)36/h1-5,10-13,15,17-18H,6-9H2,(H,31,36)/t17-,18- | PDB
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description
Inhibition of TNKS2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Wnt3a-induced Wnt/beta-catenin signaling after 24 hrs by luc... |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883
BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50104288
(CHEMBL3594137)Show InChI InChI=1S/C18H20N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11,16,19H,1-3H3,(H,20,21) | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substrate after 20 mins incubation by fluorescence assay |
Bioorg Med Chem 23: 4139-49 (2015)
Article DOI: 10.1016/j.bmc.2015.06.063
BindingDB Entry DOI: 10.7270/Q2W66NJ2 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50104288
(CHEMBL3594137)Show InChI InChI=1S/C18H20N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11,16,19H,1-3H3,(H,20,21) | PDB
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| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substrate after 20 mins incubation by fluorescence assay |
Bioorg Med Chem 23: 4139-49 (2015)
Article DOI: 10.1016/j.bmc.2015.06.063
BindingDB Entry DOI: 10.7270/Q2W66NJ2 |
More data for this
Ligand-Target Pair | |
Protein mono-ADP-ribosyltransferase PARP10
(Homo sapiens (Human)) | BDBM50468579
(CHEMBL4287262)Show InChI InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18) | PDB
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University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1... |
Eur J Med Chem 156: 93-102 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW |
More data for this
Ligand-Target Pair | |
Protein mono-ADP-ribosyltransferase PARP10
(Homo sapiens (Human)) | BDBM50468579
(CHEMBL4287262)Show InChI InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18) | PDB
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University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1... |
Eur J Med Chem 156: 93-102 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250878
(CHEMBL4074540)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccccc2[nH]c1=O |r,wU:20.25,wD:18.20,(23.76,-26.81,;22.43,-27.58,;22.43,-29.12,;21.1,-29.89,;19.76,-29.12,;19.76,-27.58,;21.1,-26.81,;21.1,-25.27,;22.34,-24.37,;21.87,-22.9,;20.33,-22.9,;19.85,-24.37,;18.38,-24.85,;18.06,-26.35,;16.6,-26.83,;15.46,-25.8,;15.78,-24.29,;17.24,-23.81,;23.81,-24.85,;24.5,-26.22,;25.88,-25.51,;25.18,-24.14,;27.34,-25.99,;27.81,-27.46,;27.05,-28.79,;27.81,-30.12,;29.35,-30.12,;30.12,-28.79,;29.35,-27.46,;29.83,-25.99,;28.58,-25.09,;28.58,-23.55,)| Show InChI InChI=1S/C23H18ClN7O/c24-16-5-1-3-7-19(16)31-21(28-29-22(31)18-9-10-25-13-26-18)14-11-15(12-14)30-20-8-4-2-6-17(20)27-23(30)32/h1-10,13-15H,11-12H2,(H,27,32)/t14-,15- | PDB
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Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description
Inhibition of TNKS2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Wnt3a-induced Wnt/beta-catenin signaling after 24 hrs by luc... |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883
BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this
Ligand-Target Pair | |
Protein mono-ADP-ribosyltransferase PARP10
(Homo sapiens (Human)) | BDBM50452662
(CHEMBL4208737)Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17) | PDB
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University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1... |
Eur J Med Chem 156: 93-102 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50104287
(CHEMBL3594136)Show InChI InChI=1S/C17H18N2O/c1-11(2)12-7-9-13(10-8-12)16-18-15-6-4-3-5-14(15)17(20)19-16/h3-11,16,18H,1-2H3,(H,19,20) | PDB
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University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substrate after 20 mins incubation by fluorescence assay |
Bioorg Med Chem 23: 4139-49 (2015)
Article DOI: 10.1016/j.bmc.2015.06.063
BindingDB Entry DOI: 10.7270/Q2W66NJ2 |
More data for this
Ligand-Target Pair | |
Protein mono-ADP-ribosyltransferase PARP10
(Homo sapiens (Human)) | BDBM50452662
(CHEMBL4208737)Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17) | PDB
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University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1... |
Eur J Med Chem 156: 93-102 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50104287
(CHEMBL3594136)Show InChI InChI=1S/C17H18N2O/c1-11(2)12-7-9-13(10-8-12)16-18-15-6-4-3-5-14(15)17(20)19-16/h3-11,16,18H,1-2H3,(H,19,20) | PDB
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University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substrate after 20 mins incubation by fluorescence assay |
Bioorg Med Chem 23: 4139-49 (2015)
Article DOI: 10.1016/j.bmc.2015.06.063
BindingDB Entry DOI: 10.7270/Q2W66NJ2 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50136757
(CHEMBL3753510)Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(C(=O)NCC2(CCOCC2)c2ccc(OC)cc2)c(Cl)c1 Show InChI InChI=1S/C28H29ClN2O5/c1-34-22-8-3-19(4-9-22)26(32)31-21-7-12-24(25(29)17-21)27(33)30-18-28(13-15-36-16-14-28)20-5-10-23(35-2)11-6-20/h3-12,17H,13-16,18H2,1-2H3,(H,30,33)(H,31,32) | PDB
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University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 by fluorescence analysis |
Bioorg Med Chem Lett 26: 328-33 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50136757
(CHEMBL3753510)Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(C(=O)NCC2(CCOCC2)c2ccc(OC)cc2)c(Cl)c1 Show InChI InChI=1S/C28H29ClN2O5/c1-34-22-8-3-19(4-9-22)26(32)31-21-7-12-24(25(29)17-21)27(33)30-18-28(13-15-36-16-14-28)20-5-10-23(35-2)11-6-20/h3-12,17H,13-16,18H2,1-2H3,(H,30,33)(H,31,32) | PDB
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University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 by fluorescence analysis |
Bioorg Med Chem Lett 26: 328-33 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD |
More data for this
Ligand-Target Pair | |
Protein mono-ADP-ribosyltransferase PARP15 [460-656,Y598L]
(Homo sapiens (Human)) | BDBM199181
(4-[(4-Carbamoylcyclohexyl)oxy]cyclohexane-1-carbox...)Show InChI InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18) | PDB
MMDB
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B.MOAD
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University of Oulu
| Assay Description
This assay measures the substrate consumption by quantifying the remaining NAD+ through its chemical conversion to a stable fluorescent condensation ... |
Cell Chem Biol 23: 1251-1260 (2016)
Article DOI: 10.1016/j.chembiol.2016.08.012
BindingDB Entry DOI: 10.7270/Q2B56HJ3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50104285
(CHEMBL3593716)Show InChI InChI=1S/C13H20N4O/c1-16-6-8-17(9-7-16)13-14-11-5-3-2-4-10(11)12(18)15-13/h2-9H2,1H3,(H,14,15,18) | PDB
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University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substrate after 20 mins incubation by fluorescence assay |
Bioorg Med Chem 23: 4139-49 (2015)
Article DOI: 10.1016/j.bmc.2015.06.063
BindingDB Entry DOI: 10.7270/Q2W66NJ2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50104285
(CHEMBL3593716)Show InChI InChI=1S/C13H20N4O/c1-16-6-8-17(9-7-16)13-14-11-5-3-2-4-10(11)12(18)15-13/h2-9H2,1H3,(H,14,15,18) | PDB
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| n/a | n/a | 302 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substrate after 20 mins incubation by fluorescence assay |
Bioorg Med Chem 23: 4139-49 (2015)
Article DOI: 10.1016/j.bmc.2015.06.063
BindingDB Entry DOI: 10.7270/Q2W66NJ2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Protein mono-ADP-ribosyltransferase PARP10 [809-1017]
(Homo sapiens (Human)) | BDBM199181
(4-[(4-Carbamoylcyclohexyl)oxy]cyclohexane-1-carbox...)Show InChI InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18) | PDB
MMDB
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B.MOAD
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| n/a | n/a | 329 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
| Assay Description
This assay measures the substrate consumption by quantifying the remaining NAD+ through its chemical conversion to a stable fluorescent condensation ... |
Cell Chem Biol 23: 1251-1260 (2016)
Article DOI: 10.1016/j.chembiol.2016.08.012
BindingDB Entry DOI: 10.7270/Q2B56HJ3 |
More data for this
Ligand-Target Pair | |
Protein mono-ADP-ribosyltransferase PARP10
(Homo sapiens (Human)) | BDBM199181
(4-[(4-Carbamoylcyclohexyl)oxy]cyclohexane-1-carbox...)Show InChI InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18) | PDB
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University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1... |
Eur J Med Chem 156: 93-102 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250876
(CHEMBL4102763)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:21.27,wD:18.20,(22.84,-14.09,;21.51,-14.87,;21.51,-16.4,;20.17,-17.18,;18.84,-16.4,;18.84,-14.87,;20.17,-14.09,;20.17,-12.09,;21.42,-11.18,;20.95,-9.72,;19.4,-9.72,;18.93,-11.18,;17.46,-11.67,;17.14,-13.17,;15.68,-13.64,;14.53,-12.62,;14.85,-11.11,;16.32,-10.63,;22.88,-11.67,;23.21,-13.17,;24.67,-13.64,;25.82,-12.62,;25.5,-11.11,;24.03,-10.63,;27.28,-13.09,;27.76,-14.55,;26.98,-15.89,;27.76,-17.22,;29.3,-17.22,;30.07,-15.89,;29.3,-14.55,;29.78,-13.09,;28.53,-12.18,;28.53,-10.65,;30.07,-18.57,;30.84,-19.91,)| Show InChI InChI=1S/C26H21ClN8O/c27-19-3-1-2-4-22(19)35-24(32-33-25(35)20-11-12-29-15-30-20)17-6-8-18(9-7-17)34-23-10-5-16(14-28)13-21(23)31-26(34)36/h1-5,10-13,15,17-18H,6-9H2,(H,31,36)/t17-,18- | PDB
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Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 (873 to 1162 residues) assessed as reduction in NAD+ consumption by fluorescence assay |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883
BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250879
(CHEMBL4064869)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)-c1ccc(cc1)-n1c2ccc(cc2[nH]c1=O)C#N |(25.56,-15.85,;24.02,-16.05,;23.44,-17.48,;21.9,-17.68,;20.97,-16.43,;21.57,-15.02,;23.09,-14.83,;23.69,-13.41,;25.18,-13,;25.24,-11.47,;23.79,-10.94,;22.84,-12.13,;21.3,-12.13,;20.53,-13.46,;18.98,-13.46,;18.21,-12.13,;18.98,-10.8,;20.53,-10.8,;26.43,-13.89,;26.28,-15.43,;27.54,-16.32,;28.94,-15.68,;29.08,-14.14,;27.83,-13.24,;30.18,-16.57,;30.27,-18.1,;29.18,-19.2,;29.57,-20.66,;31.07,-21.07,;32.15,-19.99,;31.75,-18.5,;32.58,-17.2,;31.62,-16.02,;32.03,-14.53,;31.48,-22.56,;31.89,-24.06,)| Show InChI InChI=1S/C26H15ClN8O/c27-19-3-1-2-4-22(19)35-24(32-33-25(35)20-11-12-29-15-30-20)17-6-8-18(9-7-17)34-23-10-5-16(14-28)13-21(23)31-26(34)36/h1-13,15H,(H,31,36) | PDB
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Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 (873 to 1162 residues) assessed as reduction in NAD+ consumption by fluorescence assay |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883
BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50104290
(CHEMBL268379)Show InChI InChI=1S/C16H17N3O/c1-10(2)11-5-7-12(8-6-11)14-18-15-13(16(20)19-14)4-3-9-17-15/h3-10,14H,1-2H3,(H,17,18)(H,19,20) | PDB
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University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substrate after 20 mins incubation by fluorescence assay |
Bioorg Med Chem 23: 4139-49 (2015)
Article DOI: 10.1016/j.bmc.2015.06.063
BindingDB Entry DOI: 10.7270/Q2W66NJ2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50136755
(CHEMBL3752386)Show SMILES COc1ccc(cc1)C1(CNC(=O)c2ccc(NC(=O)c3ccco3)cc2Cl)CCOCC1 Show InChI InChI=1S/C25H25ClN2O5/c1-31-19-7-4-17(5-8-19)25(10-13-32-14-11-25)16-27-23(29)20-9-6-18(15-21(20)26)28-24(30)22-3-2-12-33-22/h2-9,12,15H,10-11,13-14,16H2,1H3,(H,27,29)(H,28,30) | PDB
KEGG
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| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of tankyrase in WNT3a-stimulated human HEK293 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 26: 328-33 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50104290
(CHEMBL268379)Show InChI InChI=1S/C16H17N3O/c1-10(2)11-5-7-12(8-6-11)14-18-15-13(16(20)19-14)4-3-9-17-15/h3-10,14H,1-2H3,(H,17,18)(H,19,20) | PDB
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| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substrate after 20 mins incubation by fluorescence assay |
Bioorg Med Chem 23: 4139-49 (2015)
Article DOI: 10.1016/j.bmc.2015.06.063
BindingDB Entry DOI: 10.7270/Q2W66NJ2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50104286
(CHEMBL3593715)Show InChI InChI=1S/C18H23N5O/c24-17-15-3-1-2-4-16(15)20-18(21-17)23-11-9-22(10-12-23)13-14-5-7-19-8-6-14/h5-8H,1-4,9-13H2,(H,20,21,24) | PDB
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| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS1 (1030 to 1317) using NAD substrate after 20 mins incubation by fluorescence assay |
Bioorg Med Chem 23: 4139-49 (2015)
Article DOI: 10.1016/j.bmc.2015.06.063
BindingDB Entry DOI: 10.7270/Q2W66NJ2 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50136756
(CHEMBL3752054)Show SMILES COc1ccc(cc1)C1(CNC(=O)c2ccc(NC(=O)c3ccc(C)o3)cc2)CCOCC1 Show InChI InChI=1S/C26H28N2O5/c1-18-3-12-23(33-18)25(30)28-21-8-4-19(5-9-21)24(29)27-17-26(13-15-32-16-14-26)20-6-10-22(31-2)11-7-20/h3-12H,13-17H2,1-2H3,(H,27,29)(H,28,30) | PDB
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| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of tankyrase in WNT3a-stimulated human HEK293 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 26: 328-33 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250878
(CHEMBL4074540)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccccc2[nH]c1=O |r,wU:20.25,wD:18.20,(23.76,-26.81,;22.43,-27.58,;22.43,-29.12,;21.1,-29.89,;19.76,-29.12,;19.76,-27.58,;21.1,-26.81,;21.1,-25.27,;22.34,-24.37,;21.87,-22.9,;20.33,-22.9,;19.85,-24.37,;18.38,-24.85,;18.06,-26.35,;16.6,-26.83,;15.46,-25.8,;15.78,-24.29,;17.24,-23.81,;23.81,-24.85,;24.5,-26.22,;25.88,-25.51,;25.18,-24.14,;27.34,-25.99,;27.81,-27.46,;27.05,-28.79,;27.81,-30.12,;29.35,-30.12,;30.12,-28.79,;29.35,-27.46,;29.83,-25.99,;28.58,-25.09,;28.58,-23.55,)| Show InChI InChI=1S/C23H18ClN7O/c24-16-5-1-3-7-19(16)31-21(28-29-22(31)18-9-10-25-13-26-18)14-11-15(12-14)30-20-8-4-2-6-17(20)27-23(30)32/h1-10,13-15H,11-12H2,(H,27,32)/t14-,15- | PDB
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Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description
Inhibition of TNKS2 (unknown origin) transfected in human SW480 cells assessed as inhibition of Wnt3a-induced Wnt/beta-catenin signaling after 48 hrs... |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883
BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM150782
(2-(4-Chlorophenyl)-2,3-dihydroquinazolin-4(1H)-one...)Show InChI InChI=1S/C14H11ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8,13,16H,(H,17,18) | PDB
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| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substrate after 20 mins incubation by fluorescence assay |
Bioorg Med Chem 23: 4139-49 (2015)
Article DOI: 10.1016/j.bmc.2015.06.063
BindingDB Entry DOI: 10.7270/Q2W66NJ2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM150782
(2-(4-Chlorophenyl)-2,3-dihydroquinazolin-4(1H)-one...)Show InChI InChI=1S/C14H11ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8,13,16H,(H,17,18) | PDB
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| n/a | n/a | 417 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substrate after 20 mins incubation by fluorescence assay |
Bioorg Med Chem 23: 4139-49 (2015)
Article DOI: 10.1016/j.bmc.2015.06.063
BindingDB Entry DOI: 10.7270/Q2W66NJ2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250877
(CHEMBL4084811)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1CC[C@@H](CC1)n1c2ccccc2[nH]c1=O |r,wU:21.27,wD:18.20,(20.48,-13.16,;19.15,-13.93,;19.15,-15.47,;17.81,-16.25,;16.48,-15.47,;16.48,-13.93,;17.81,-13.16,;17.81,-11.16,;19.06,-10.25,;18.59,-8.79,;17.04,-8.79,;16.57,-10.25,;15.1,-10.73,;14.78,-12.23,;13.32,-12.71,;12.17,-11.68,;12.49,-10.18,;13.96,-9.69,;20.52,-10.73,;20.85,-12.23,;22.31,-12.71,;23.46,-11.68,;23.14,-10.18,;21.67,-9.69,;24.92,-12.15,;25.4,-13.62,;24.62,-14.96,;25.4,-16.29,;26.93,-16.29,;27.71,-14.96,;26.93,-13.62,;27.42,-12.15,;26.17,-11.25,;26.17,-9.71,)| Show InChI InChI=1S/C25H22ClN7O/c26-18-5-1-3-7-21(18)33-23(30-31-24(33)20-13-14-27-15-28-20)16-9-11-17(12-10-16)32-22-8-4-2-6-19(22)29-25(32)34/h1-8,13-17H,9-12H2,(H,29,34)/t16-,17- | PDB
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| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 (873 to 1162 residues) assessed as reduction in NAD+ consumption by fluorescence assay |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883
BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50441357
(CHEMBL2431805)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) | PDB
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| n/a | n/a | 479 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human full length ARTD2 using NAD+ as substrate by fluorescence assay |
J Med Chem 56: 7880-9 (2013)
Article DOI: 10.1021/jm401463y
BindingDB Entry DOI: 10.7270/Q2474C9C |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50441357
(CHEMBL2431805)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) | PDB
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PubMed
| n/a | n/a | 479 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human full length ARTD2 using NAD+ as substrate by fluorescence assay |
J Med Chem 56: 7880-9 (2013)
Article DOI: 10.1021/jm401463y
BindingDB Entry DOI: 10.7270/Q2474C9C |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50136772
(CHEMBL3752492)Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccncn1)c1ccccc1Cl Show InChI InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31) | PDB
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PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS1 by fluorescence analysis |
Bioorg Med Chem Lett 26: 328-33 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50136772
(CHEMBL3752492)Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccncn1)c1ccccc1Cl Show InChI InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31) | PDB
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| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS1 by fluorescence analysis |
Bioorg Med Chem Lett 26: 328-33 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50136755
(CHEMBL3752386)Show SMILES COc1ccc(cc1)C1(CNC(=O)c2ccc(NC(=O)c3ccco3)cc2Cl)CCOCC1 Show InChI InChI=1S/C25H25ClN2O5/c1-31-19-7-4-17(5-8-19)25(10-13-32-14-11-25)16-27-23(29)20-9-6-18(15-21(20)26)28-24(30)22-3-2-12-33-22/h2-9,12,15H,10-11,13-14,16H2,1H3,(H,27,29)(H,28,30) | PDB
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| n/a | n/a | 562 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS1 by fluorescence analysis |
Bioorg Med Chem Lett 26: 328-33 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50136755
(CHEMBL3752386)Show SMILES COc1ccc(cc1)C1(CNC(=O)c2ccc(NC(=O)c3ccco3)cc2Cl)CCOCC1 Show InChI InChI=1S/C25H25ClN2O5/c1-31-19-7-4-17(5-8-19)25(10-13-32-14-11-25)16-27-23(29)20-9-6-18(15-21(20)26)28-24(30)22-3-2-12-33-22/h2-9,12,15H,10-11,13-14,16H2,1H3,(H,27,29)(H,28,30) | PDB
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| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS1 by fluorescence analysis |
Bioorg Med Chem Lett 26: 328-33 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50104293
(CHEMBL3594132)Show InChI InChI=1S/C21H18N2O2/c24-21-16-10-4-6-12-18(16)22-20(23-21)17-11-5-7-13-19(17)25-14-15-8-2-1-3-9-15/h1-13,20,22H,14H2,(H,23,24) | PDB
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| n/a | n/a | 575 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substrate after 20 mins incubation by fluorescence assay |
Bioorg Med Chem 23: 4139-49 (2015)
Article DOI: 10.1016/j.bmc.2015.06.063
BindingDB Entry DOI: 10.7270/Q2W66NJ2 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50104293
(CHEMBL3594132)Show InChI InChI=1S/C21H18N2O2/c24-21-16-10-4-6-12-18(16)22-20(23-21)17-11-5-7-13-19(17)25-14-15-8-2-1-3-9-15/h1-13,20,22H,14H2,(H,23,24) | PDB
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| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substrate after 20 mins incubation by fluorescence assay |
Bioorg Med Chem 23: 4139-49 (2015)
Article DOI: 10.1016/j.bmc.2015.06.063
BindingDB Entry DOI: 10.7270/Q2W66NJ2 |
More data for this
Ligand-Target Pair | |
Protein mono-ADP-ribosyltransferase PARP10 [809-1017,R931A]
(Homo sapiens (Human)) | BDBM199181
(4-[(4-Carbamoylcyclohexyl)oxy]cyclohexane-1-carbox...)Show InChI InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18) | PDB
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| n/a | n/a | 597 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
| Assay Description
This assay measures the substrate consumption by quantifying the remaining NAD+ through its chemical conversion to a stable fluorescent condensation ... |
Cell Chem Biol 23: 1251-1260 (2016)
Article DOI: 10.1016/j.chembiol.2016.08.012
BindingDB Entry DOI: 10.7270/Q2B56HJ3 |
More data for this
Ligand-Target Pair | |
Protein mono-ADP-ribosyltransferase PARP10
(Homo sapiens (Human)) | BDBM199181
(4-[(4-Carbamoylcyclohexyl)oxy]cyclohexane-1-carbox...)Show InChI InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18) | PDB
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) R931A mutant expressed in Escherichia coli Rosetta2 (DE3) Rosetta2 (DE3) usin... |
Eur J Med Chem 156: 93-102 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50104288
(CHEMBL3594137)Show InChI InChI=1S/C18H20N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11,16,19H,1-3H3,(H,20,21) | PDB
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| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS1 (1030 to 1317) using NAD substrate after 20 mins incubation by fluorescence assay |
Bioorg Med Chem 23: 4139-49 (2015)
Article DOI: 10.1016/j.bmc.2015.06.063
BindingDB Entry DOI: 10.7270/Q2W66NJ2 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50136756
(CHEMBL3752054)Show SMILES COc1ccc(cc1)C1(CNC(=O)c2ccc(NC(=O)c3ccc(C)o3)cc2)CCOCC1 Show InChI InChI=1S/C26H28N2O5/c1-18-3-12-23(33-18)25(30)28-21-8-4-19(5-9-21)24(29)27-17-26(13-15-32-16-14-26)20-6-10-22(31-2)11-7-20/h3-12H,13-17H2,1-2H3,(H,27,29)(H,28,30) | PDB
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| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS1 by fluorescence analysis |
Bioorg Med Chem Lett 26: 328-33 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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