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Compile Data Set for Download or QSAR

Found 289 hits with Last Name = 'venkannagari' and Initial = 'h'   
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))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a 4n/an/an/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Inhibition of TNKS2


J Med Chem 55: 1360-7 (2012)


Article DOI: 10.1021/jm201510p
BindingDB Entry DOI: 10.7270/Q2WS8V8K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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-2


(Homo sapiens (Human))
BDBM50136772
PNG
(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)
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n/an/a 37n/an/an/an/an/an/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
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50136772
PNG
(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)
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n/an/a 37n/an/an/an/an/an/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
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/a 56n/an/an/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Inhibition of TNKS2


J Med Chem 55: 1360-7 (2012)


Article DOI: 10.1021/jm201510p
BindingDB Entry DOI: 10.7270/Q2WS8V8K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50104286
PNG
(CHEMBL3593715)
Show SMILES O=c1[nH]c(nc2CCCCc12)N1CCN(Cc2ccncc2)CC1
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)
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n/an/a 71n/an/an/an/an/an/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
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50104286
PNG
(CHEMBL3593715)
Show SMILES O=c1[nH]c(nc2CCCCc12)N1CCN(Cc2ccncc2)CC1
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)
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n/an/a 71n/an/an/an/an/an/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
3D Structure (crystal)
Poly [ADP-ribose] polymerase 2


(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 114n/an/an/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Inhibition of PARP2


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
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/a 131n/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
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50104288
PNG
(CHEMBL3594137)
Show SMILES CC(C)(C)c1ccc(cc1)C1NC(=O)c2ccccc2N1
Show InChI InChI=1/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)
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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))
BDBM50104288
PNG
(CHEMBL3594137)
Show SMILES CC(C)(C)c1ccc(cc1)C1NC(=O)c2ccccc2N1
Show InChI InChI=1/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)
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n/an/a 155n/an/an/an/an/an/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 10


(Homo sapiens (Human))
BDBM50468579
PNG
(CHEMBL4287262)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
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)
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n/an/a 180n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 10


(Homo sapiens (Human))
BDBM50468579
PNG
(CHEMBL4287262)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
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)
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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)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50104287
PNG
(CHEMBL3594136)
Show SMILES CC(C)c1ccc(cc1)C1NC(=O)c2ccccc2N1
Show InChI InChI=1/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)
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n/an/a 230n/an/an/an/an/an/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 10


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
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)
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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)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50104287
PNG
(CHEMBL3594136)
Show SMILES CC(C)c1ccc(cc1)C1NC(=O)c2ccccc2N1
Show InChI InChI=1/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)
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n/an/a 234n/an/an/an/an/an/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 10


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
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)
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n/an/a 234n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50136757
PNG
(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)
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n/an/a 257n/an/an/an/an/an/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
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50136757
PNG
(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)
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n/an/a 260n/an/an/an/an/an/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
Human diphtheria toxin-like ADP-ribosyltransferase (Y598L) (ARTD7 or PARP15 (Y598L))


(Homo sapiens (Human))
BDBM199181
PNG
(4-[(4-Carbamoylcyclohexyl)oxy]cyclohexane-1-carbox...)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1
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)
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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
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50104285
PNG
(CHEMBL3593716)
Show SMILES CN1CCN(CC1)c1nc2CCCCc2c(=O)[nH]1
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)
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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
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50104285
PNG
(CHEMBL3593716)
Show SMILES CN1CCN(CC1)c1nc2CCCCc2c(=O)[nH]1
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)
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n/an/a 302n/an/an/an/an/an/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
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM199181
PNG
(4-[(4-Carbamoylcyclohexyl)oxy]cyclohexane-1-carbox...)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1
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)
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n/an/a 329n/an/an/an/an/an/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
Poly [ADP-ribose] polymerase 10


(Homo sapiens (Human))
BDBM199181
PNG
(4-[(4-Carbamoylcyclohexyl)oxy]cyclohexane-1-carbox...)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1
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)
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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)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50104290
PNG
(CHEMBL268379)
Show SMILES CC(C)c1ccc(cc1)C1NC(=O)c2cccnc2N1
Show InChI InChI=1/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)
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n/an/a 355n/an/an/an/an/an/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
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50104290
PNG
(CHEMBL268379)
Show SMILES CC(C)c1ccc(cc1)C1NC(=O)c2cccnc2N1
Show InChI InChI=1/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)
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n/an/a 360n/an/an/an/an/an/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
3D Structure (crystal)
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50136755
PNG
(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)
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n/an/a 360n/an/an/an/an/an/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
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50104286
PNG
(CHEMBL3593715)
Show SMILES O=c1[nH]c(nc2CCCCc12)N1CCN(Cc2ccncc2)CC1
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)
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n/an/a 370n/an/an/an/an/an/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
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50136756
PNG
(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)
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n/an/a 380n/an/an/an/an/an/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
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM150782
PNG
(2-(4-Chlorophenyl)-2,3-dihydroquinazolin-4(1H)-one...)
Show SMILES Clc1ccc(cc1)C1NC(=O)c2ccccc2N1
Show InChI InChI=1/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)
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n/an/a 410n/an/an/an/an/an/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
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM150782
PNG
(2-(4-Chlorophenyl)-2,3-dihydroquinazolin-4(1H)-one...)
Show SMILES Clc1ccc(cc1)C1NC(=O)c2ccccc2N1
Show InChI InChI=1/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)
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n/an/a 417n/an/an/an/an/an/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
3D Structure (crystal)
Poly [ADP-ribose] polymerase 2


(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 479n/an/an/an/an/an/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
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 479n/an/an/an/an/an/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
PNG
(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)
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n/an/a 550n/an/an/an/an/an/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
PNG
(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)
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n/an/a 550n/an/an/an/an/an/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
PNG
(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)
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n/an/a 562n/an/an/an/an/an/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
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50136755
PNG
(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)
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n/an/a 570n/an/an/an/an/an/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
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50104293
PNG
(CHEMBL3594132)
Show SMILES O=C1NC(Nc2ccccc12)c1ccccc1OCc1ccccc1
Show InChI InChI=1/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)
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n/an/a 575n/an/an/an/an/an/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
PNG
(CHEMBL3594132)
Show SMILES O=C1NC(Nc2ccccc12)c1ccccc1OCc1ccccc1
Show InChI InChI=1/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)
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n/an/a 580n/an/an/an/an/an/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
Human diphtheria toxin-like ADP-ribosyltransferase (R931A) (ARTD10 or PARP10(R931A)


(Homo sapiens (Human))
BDBM199181
PNG
(4-[(4-Carbamoylcyclohexyl)oxy]cyclohexane-1-carbox...)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1
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)
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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
Poly [ADP-ribose] polymerase 10


(Homo sapiens (Human))
BDBM199181
PNG
(4-[(4-Carbamoylcyclohexyl)oxy]cyclohexane-1-carbox...)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1
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)
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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)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 10


(Homo sapiens (Human))
BDBM50468581
PNG
(CHEMBL4287655)
Show SMILES NC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1
Show InChI InChI=1S/C14H11NO3/c15-14(17)11-3-7-13(8-4-11)18-12-5-1-10(9-16)2-6-12/h1-9H,(H2,15,17)
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n/an/a 617n/an/an/an/an/an/a



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)

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


(Homo sapiens (Human))
BDBM50104288
PNG
(CHEMBL3594137)
Show SMILES CC(C)(C)c1ccc(cc1)C1NC(=O)c2ccccc2N1
Show InChI InChI=1/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)
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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
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50136758
PNG
(CHEMBL3753249)
Show SMILES COc1ccc(cc1)C1(CNC(=O)c2ccc(NC(=O)c3cnc(C)o3)cc2Cl)CCOCC1
Show InChI InChI=1S/C25H26ClN3O5/c1-16-27-14-22(34-16)24(31)29-18-5-8-20(21(26)13-18)23(30)28-15-25(9-11-33-12-10-25)17-3-6-19(32-2)7-4-17/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,30)(H,29,31)
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n/an/a 690n/an/an/an/an/an/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
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50136756
PNG
(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)
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n/an/a 690n/an/an/an/an/an/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
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50136756
PNG
(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)
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n/an/a 692n/an/an/an/an/an/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
3D Structure (crystal)
Poly [ADP-ribose] polymerase 10


(Homo sapiens (Human))
BDBM50468581
PNG
(CHEMBL4287655)
Show SMILES NC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1
Show InChI InChI=1S/C14H11NO3/c15-14(17)11-3-7-13(8-4-11)18-12-5-1-10(9-16)2-6-12/h1-9H,(H2,15,17)
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n/an/a 710n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50104284
PNG
(CHEMBL2144572)
Show SMILES CCc1c(C)nc(nc1O)N1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C17H21FN4O/c1-3-13-12(2)19-17(20-16(13)23)22-10-8-21(9-11-22)15-7-5-4-6-14(15)18/h4-7H,3,8-11H2,1-2H3,(H,19,20,23)
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n/an/a 720n/an/an/an/an/an/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 10


(Homo sapiens (Human))
BDBM50468593
PNG
(CHEMBL4277717)
Show SMILES NC(=O)c1ccc(OC2CCC2)cc1
Show InChI InChI=1S/C11H13NO2/c12-11(13)8-4-6-10(7-5-8)14-9-2-1-3-9/h4-7,9H,1-3H2,(H2,12,13)
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n/an/a 720n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50104284
PNG
(CHEMBL2144572)
Show SMILES CCc1c(C)nc(nc1O)N1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C17H21FN4O/c1-3-13-12(2)19-17(20-16(13)23)22-10-8-21(9-11-22)15-7-5-4-6-14(15)18/h4-7H,3,8-11H2,1-2H3,(H,19,20,23)
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n/an/a 724n/an/an/an/an/an/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
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