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PubMed code 26183543

Compile data set for download or QSAR
Found 87 hits of Enzyme Inhibition Constant Data   
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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


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


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


(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 150n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


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


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


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


(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 300n/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


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


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


(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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


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


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


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


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


(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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(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 620n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


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


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


(Homo sapiens (Human))
BDBM50104317
PNG
(CHEMBL3594127)
Show SMILES Clc1ccc(cc1)C1NC(=O)c2cccnc2N1
Show InChI InChI=1/C13H10ClN3O/c14-9-5-3-8(4-6-9)11-16-12-10(13(18)17-11)2-1-7-15-12/h1-7,11H,(H,15,16)(H,17,18)
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n/an/a 759n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104317
PNG
(CHEMBL3594127)
Show SMILES Clc1ccc(cc1)C1NC(=O)c2cccnc2N1
Show InChI InChI=1/C13H10ClN3O/c14-9-5-3-8(4-6-9)11-16-12-10(13(18)17-11)2-1-7-15-12/h1-7,11H,(H,15,16)(H,17,18)
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n/an/a 760n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM150781
PNG
(2-(4-Methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-on...)
Show SMILES COc1ccc(cc1)C1NC(=O)c2ccccc2N1
Show InChI InChI=1/C15H14N2O2/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)
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n/an/a 990n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM150781
PNG
(2-(4-Methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-on...)
Show SMILES COc1ccc(cc1)C1NC(=O)c2ccccc2N1
Show InChI InChI=1/C15H14N2O2/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)
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n/an/a 1.00E+3n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(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 1.10E+3n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104318
PNG
(CHEMBL3594126)
Show SMILES O=C1NC(Nc2ncccc12)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1/C20H17N3O2/c24-20-17-7-4-12-21-19(17)22-18(23-20)15-8-10-16(11-9-15)25-13-14-5-2-1-3-6-14/h1-12,18H,13H2,(H,21,22)(H,23,24)
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n/an/a 1.90E+3n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104318
PNG
(CHEMBL3594126)
Show SMILES O=C1NC(Nc2ncccc12)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1/C20H17N3O2/c24-20-17-7-4-12-21-19(17)22-18(23-20)15-8-10-16(11-9-15)25-13-14-5-2-1-3-6-14/h1-12,18H,13H2,(H,21,22)(H,23,24)
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n/an/a 1.95E+3n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104315
PNG
(CHEMBL3594129)
Show SMILES COc1ccc(cc1)C1NC(=O)c2cccnc2N1
Show InChI InChI=1/C14H13N3O2/c1-19-10-6-4-9(5-7-10)12-16-13-11(14(18)17-12)3-2-8-15-13/h2-8,12H,1H3,(H,15,16)(H,17,18)
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n/an/a 2.10E+3n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104315
PNG
(CHEMBL3594129)
Show SMILES COc1ccc(cc1)C1NC(=O)c2cccnc2N1
Show InChI InChI=1/C14H13N3O2/c1-19-10-6-4-9(5-7-10)12-16-13-11(14(18)17-12)3-2-8-15-13/h2-8,12H,1H3,(H,15,16)(H,17,18)
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n/an/a 2.14E+3n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104283
PNG
(CHEMBL3593717)
Show SMILES CN1C(NC(=O)c2cccnc12)c1ccc(NC(=O)C2CCC2)cc1
Show InChI InChI=1/C19H20N4O2/c1-23-16(22-19(25)15-6-3-11-20-17(15)23)12-7-9-14(10-8-12)21-18(24)13-4-2-5-13/h3,6-11,13,16H,2,4-5H2,1H3,(H,21,24)(H,22,25)
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n/an/a 2.30E+3n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104283
PNG
(CHEMBL3593717)
Show SMILES CN1C(NC(=O)c2cccnc12)c1ccc(NC(=O)C2CCC2)cc1
Show InChI InChI=1/C19H20N4O2/c1-23-16(22-19(25)15-6-3-11-20-17(15)23)12-7-9-14(10-8-12)21-18(24)13-4-2-5-13/h3,6-11,13,16H,2,4-5H2,1H3,(H,21,24)(H,22,25)
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n/an/a 2.34E+3n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104291
PNG
(CHEMBL3594133)
Show SMILES O=C1NC(Nc2ccccc12)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1/C21H18N2O2/c24-21-18-8-4-5-9-19(18)22-20(23-21)16-10-12-17(13-11-16)25-14-15-6-2-1-3-7-15/h1-13,20,22H,14H2,(H,23,24)
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n/an/a 2.69E+3n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM150780
PNG
(2-(4-Methylphenyl)-2,3-dihydroquinazolin-4(1H)-one...)
Show SMILES Cc1ccc(cc1)C1NC(=O)c2ccccc2N1
Show InChI InChI=1/C15H14N2O/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)
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n/an/a 2.69E+3n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104291
PNG
(CHEMBL3594133)
Show SMILES O=C1NC(Nc2ccccc12)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1/C21H18N2O2/c24-21-18-8-4-5-9-19(18)22-20(23-21)16-10-12-17(13-11-16)25-14-15-6-2-1-3-7-15/h1-13,20,22H,14H2,(H,23,24)
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n/an/a 2.70E+3n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM150780
PNG
(2-(4-Methylphenyl)-2,3-dihydroquinazolin-4(1H)-one...)
Show SMILES Cc1ccc(cc1)C1NC(=O)c2ccccc2N1
Show InChI InChI=1/C15H14N2O/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)
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n/an/a 2.70E+3n/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
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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 3.60E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of full-length human ARTD1 using 500 nM NAD substrate after 1 hr incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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 3.60E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of full-length human ARTD2 using 500 nM NAD substrate after 3 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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 4.20E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of full-length human ARTD2 using 500 nM NAD substrate after 3 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104320
PNG
(CHEMBL3594124)
Show SMILES O=C1NC(Nc2ncccc12)c1ccccc1OCc1ccccc1
Show InChI InChI=1/C20H17N3O2/c24-20-16-10-6-12-21-18(16)22-19(23-20)15-9-4-5-11-17(15)25-13-14-7-2-1-3-8-14/h1-12,19H,13H2,(H,21,22)(H,23,24)
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n/an/a 4.47E+3n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104320
PNG
(CHEMBL3594124)
Show SMILES O=C1NC(Nc2ncccc12)c1ccccc1OCc1ccccc1
Show InChI InChI=1/C20H17N3O2/c24-20-16-10-6-12-21-18(16)22-19(23-20)15-9-4-5-11-17(15)25-13-14-7-2-1-3-8-14/h1-12,19H,13H2,(H,21,22)(H,23,24)
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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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104316
PNG
(CHEMBL3594128)
Show SMILES Cc1ccc(cc1)C1NC(=O)c2cccnc2N1
Show InChI InChI=1/C14H13N3O/c1-9-4-6-10(7-5-9)12-16-13-11(14(18)17-12)3-2-8-15-13/h2-8,12H,1H3,(H,15,16)(H,17,18)
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n/an/a 5.37E+3n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(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 5.40E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human ARTD10 (809 to 1017) using 500 nM NAD substrate after 2.5 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104316
PNG
(CHEMBL3594128)
Show SMILES Cc1ccc(cc1)C1NC(=O)c2cccnc2N1
Show InChI InChI=1/C14H13N3O/c1-9-4-6-10(7-5-9)12-16-13-11(14(18)17-12)3-2-8-15-13/h2-8,12H,1H3,(H,15,16)(H,17,18)
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n/an/a 5.40E+3n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50106307
PNG
(2-Phenyl-2,3-dihydro-1H-quinazolin-4-one | CHEMBL1...)
Show SMILES O=C1NC(Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C14H12N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9,13,15H,(H,16,17)
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n/an/a 5.50E+3n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50106307
PNG
(2-Phenyl-2,3-dihydro-1H-quinazolin-4-one | CHEMBL1...)
Show SMILES O=C1NC(Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C14H12N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9,13,15H,(H,16,17)
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n/an/a 5.50E+3n/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
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 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 5.90E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of full-length human ARTD1 using 500 nM NAD substrate after 1 hr incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104282
PNG
(CHEMBL3593718)
Show SMILES CC(C)C(=O)Nc1ccc(cc1)C1NC(=O)c2cccnc2N1C
Show InChI InChI=1/C18H20N4O2/c1-11(2)17(23)20-13-8-6-12(7-9-13)15-21-18(24)14-5-4-10-19-16(14)22(15)3/h4-11,15H,1-3H3,(H,20,23)(H,21,24)
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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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(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 6.30E+3n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104282
PNG
(CHEMBL3593718)
Show SMILES CC(C)C(=O)Nc1ccc(cc1)C1NC(=O)c2cccnc2N1C
Show InChI InChI=1/C18H20N4O2/c1-11(2)17(23)20-13-8-6-12(7-9-13)15-21-18(24)14-5-4-10-19-16(14)22(15)3/h4-11,15H,1-3H3,(H,20,23)(H,21,24)
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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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104210
PNG
(CHEMBL3593719)
Show SMILES CN1C(NC(=O)c2cccnc12)c1ccc(NC(=O)C2CCOCC2)cc1
Show InChI InChI=1/C20H22N4O3/c1-24-17(23-20(26)16-3-2-10-21-18(16)24)13-4-6-15(7-5-13)22-19(25)14-8-11-27-12-9-14/h2-7,10,14,17H,8-9,11-12H2,1H3,(H,22,25)(H,23,26)
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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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104292
PNG
(CHEMBL1900376)
Show SMILES O=C1NC(Nc2ccccc12)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1/C21H18N2O2/c24-21-18-11-4-5-12-19(18)22-20(23-21)16-9-6-10-17(13-16)25-14-15-7-2-1-3-8-15/h1-13,20,22H,14H2,(H,23,24)
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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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104292
PNG
(CHEMBL1900376)
Show SMILES O=C1NC(Nc2ccccc12)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1/C21H18N2O2/c24-21-18-11-4-5-12-19(18)22-20(23-21)16-9-6-10-17(13-16)25-14-15-7-2-1-3-8-15/h1-13,20,22H,14H2,(H,23,24)
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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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(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 ARTD10 (809 to 1017) using 500 nM NAD substrate at 10 uM after 2.5 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD7 or PARP15)


(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 ARTD7 (460 to 656) using 250 nM NAD substrate at 10 uM after 2 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104203
PNG
(CHEMBL3593720)
Show SMILES CN1C(NC(=O)c2cccnc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1/C14H11Cl2N3O/c1-19-12-10(3-2-6-17-12)14(20)18-13(19)9-5-4-8(15)7-11(9)16/h2-7,13H,1H3,(H,18,20)
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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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD7 or PARP15)


(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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University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human ARTD7 (460 to 656) using 250 nM NAD substrate after 2 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104210
PNG
(CHEMBL3593719)
Show SMILES CN1C(NC(=O)c2cccnc12)c1ccc(NC(=O)C2CCOCC2)cc1
Show InChI InChI=1/C20H22N4O3/c1-24-17(23-20(26)16-3-2-10-21-18(16)24)13-4-6-15(7-5-13)22-19(25)14-8-11-27-12-9-14/h2-7,10,14,17H,8-9,11-12H2,1H3,(H,22,25)(H,23,26)
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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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(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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University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human ARTD10 (809 to 1017) using 500 nM NAD substrate at 10 uM after 2.5 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(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 ARTD10 (809 to 1017) using 500 nM NAD substrate after 2.5 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD7 or PARP15)


(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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University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human ARTD7 (460 to 656) using 250 nM NAD substrate at 10 uM after 2 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104203
PNG
(CHEMBL3593720)
Show SMILES CN1C(NC(=O)c2cccnc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1/C14H11Cl2N3O/c1-19-12-10(3-2-6-17-12)14(20)18-13(19)9-5-4-8(15)7-11(9)16/h2-7,13H,1H3,(H,18,20)
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n/an/a 1.10E+4n/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104200
PNG
(CHEMBL7443)
Show SMILES O=C1NC(Nc2ncccc12)c1ccccc1
Show InChI InChI=1/C13H11N3O/c17-13-10-7-4-8-14-12(10)15-11(16-13)9-5-2-1-3-6-9/h1-8,11H,(H,14,15)(H,16,17)
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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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104200
PNG
(CHEMBL7443)
Show SMILES O=C1NC(Nc2ncccc12)c1ccccc1
Show InChI InChI=1/C13H11N3O/c17-13-10-7-4-8-14-12(10)15-11(16-13)9-5-2-1-3-6-9/h1-8,11H,(H,14,15)(H,16,17)
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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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(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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University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of full-length human ARTD3 using 500 nM NAD substrate after 1 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104294
PNG
(CHEMBL3594131)
Show SMILES Fc1ccccc1C1NC(=O)c2ccccc2N1
Show InChI InChI=1/C14H11FN2O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-8,13,16H,(H,17,18)
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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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104294
PNG
(CHEMBL3594131)
Show SMILES Fc1ccccc1C1NC(=O)c2ccccc2N1
Show InChI InChI=1/C14H11FN2O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-8,13,16H,(H,17,18)
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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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD7 or PARP15)


(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 1.70E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human ARTD7 (460 to 656) using 250 nM NAD substrate after 2 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD4 or PARP4)


(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 ARTD4 (250 to 565) using 500 nM NAD substrate after 2.5 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104299
PNG
(CHEMBL1580791)
Show SMILES Clc1ccccc1C1NC(=O)c2ccccc2N1
Show InChI InChI=1/C14H11ClN2O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-8,13,16H,(H,17,18)
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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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD4 or PARP4)


(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 3.30E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human ARTD4 (250 to 565) using 500 nM NAD substrate after 2.5 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(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 3.40E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of full-length human ARTD3 using 500 nM NAD substrate after 1 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(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 5.00E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of full-length human ARTD3 using 500 nM NAD substrate after 1 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104289
PNG
(CHEMBL3594135)
Show SMILES CC(C)(C)c1ccc(cc1)C1NC(=O)c2cccnc2N1
Show InChI InChI=1/C17H19N3O/c1-17(2,3)12-8-6-11(7-9-12)14-19-15-13(16(21)20-14)5-4-10-18-15/h4-10,14H,1-3H3,(H,18,19)(H,20,21)
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n/an/a 5.30E+4n/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104289
PNG
(CHEMBL3594135)
Show SMILES CC(C)(C)c1ccc(cc1)C1NC(=O)c2cccnc2N1
Show InChI InChI=1/C17H19N3O/c1-17(2,3)12-8-6-11(7-9-12)14-19-15-13(16(21)20-14)5-4-10-18-15/h4-10,14H,1-3H3,(H,18,19)(H,20,21)
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n/an/a 5.37E+4n/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104197
PNG
(CHEMBL3594123)
Show SMILES Fc1ccccc1C1NC(=O)c2cccnc2N1
Show InChI InChI=1/C13H10FN3O/c14-10-6-2-1-4-8(10)12-16-11-9(13(18)17-12)5-3-7-15-11/h1-7,12H,(H,15,16)(H,17,18)
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n/an/a 6.30E+4n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104202
PNG
(CHEMBL1892778)
Show SMILES CCCc1c(C)nc(nc1O)N1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C18H23FN4O/c1-3-6-14-13(2)20-18(21-17(14)24)23-11-9-22(10-12-23)16-8-5-4-7-15(16)19/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,20,21,24)
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n/an/a 6.31E+4n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104202
PNG
(CHEMBL1892778)
Show SMILES CCCc1c(C)nc(nc1O)N1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C18H23FN4O/c1-3-6-14-13(2)20-18(21-17(14)24)23-11-9-22(10-12-23)16-8-5-4-7-15(16)19/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,20,21,24)
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n/an/a 6.40E+4n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(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 9.10E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of full-length human ARTD3 using 500 nM NAD substrate after 1 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104297
PNG
(CHEMBL3594130)
Show SMILES Cc1ccccc1C1NC(=O)c2ccccc2N1
Show InChI InChI=1/C15H14N2O/c1-10-6-2-3-7-11(10)14-16-13-9-5-4-8-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)
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n/an/a 9.20E+4n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104198
PNG
(CHEMBL3594122)
Show SMILES Cc1ccccc1C1NC(=O)c2cccnc2N1
Show InChI InChI=1/C14H13N3O/c1-9-5-2-3-6-10(9)13-16-12-11(14(18)17-13)7-4-8-15-12/h2-8,13H,1H3,(H,15,16)(H,17,18)
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n/an/a 9.30E+4n/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
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 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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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of full-length human ARTD1 using 500 nM NAD substrate after 1 hr incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of full-length human ARTD1 using 500 nM NAD substrate after 1 hr incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD4 or PARP4)


(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 ARTD4 (250 to 565) using 500 nM NAD substrate after 2.5 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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 full-length human ARTD2 using 500 nM NAD substrate after 3 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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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University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of full-length human ARTD2 using 500 nM NAD substrate after 3 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104201
PNG
(CHEMBL3593721)
Show SMILES O=c1[nH]c(nc2OCCc12)N1CCNCC1
Show InChI InChI=1S/C10H14N4O2/c15-8-7-1-6-16-9(7)13-10(12-8)14-4-2-11-3-5-14/h11H,1-6H2,(H,12,13,15)
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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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD4 or PARP4)


(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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University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human ARTD4 (250 to 565) using 500 nM NAD substrate after 2.5 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)


Article DOI: 10.1016/j.bmc.2015.06.063
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104199
PNG
(CHEMBL3594121)
Show SMILES Clc1ccccc1C1NC(=O)c2cccnc2N1
Show InChI InChI=1/C13H10ClN3O/c14-10-6-2-1-4-8(10)12-16-11-9(13(18)17-12)5-3-7-15-11/h1-7,12H,(H,15,16)(H,17,18)
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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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50104319
PNG
(CHEMBL3594125)
Show SMILES O=C1NC(Nc2ncccc12)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1/C20H17N3O2/c24-20-17-10-5-11-21-19(17)22-18(23-20)15-8-4-9-16(12-15)25-13-14-6-2-1-3-7-14/h1-12,18H,13H2,(H,21,22)(H,23,24)
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n/an/a 2.30E+5n/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
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%