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PubMed code 28495083

Compile data set for download or QSAR
Found 70 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
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242631
PNG
(CHEMBL4068366)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H21ClN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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n/an/a 160n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242631
PNG
(CHEMBL4068366)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H21ClN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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n/an/a 160n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50242631
PNG
(CHEMBL4068366)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H21ClN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50242631
PNG
(CHEMBL4068366)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H21ClN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50242654
PNG
(CHEMBL4104503)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C23H25N3O3/c24-23(29)19-7-4-8-20(16-19)25-21(27)9-10-22(28)26-13-11-18(12-14-26)15-17-5-2-1-3-6-17/h1-10,16,18H,11-15H2,(H2,24,29)(H,25,27)/b10-9-
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McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50242654
PNG
(CHEMBL4104503)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C23H25N3O3/c24-23(29)19-7-4-8-20(16-19)25-21(27)9-10-22(28)26-13-11-18(12-14-26)15-17-5-2-1-3-6-17/h1-10,16,18H,11-15H2,(H2,24,29)(H,25,27)/b10-9-
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McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242653
PNG
(CHEMBL4074448)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCC(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C22H22FN3O3/c23-18-6-4-15(5-7-18)16-10-12-26(13-11-16)21(28)9-8-20(27)25-19-3-1-2-17(14-19)22(24)29/h1-9,14,16H,10-13H2,(H2,24,29)(H,25,27)/b9-8-
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n/an/a 270n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50242653
PNG
(CHEMBL4074448)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCC(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C22H22FN3O3/c23-18-6-4-15(5-7-18)16-10-12-26(13-11-16)21(28)9-8-20(27)25-19-3-1-2-17(14-19)22(24)29/h1-9,14,16H,10-13H2,(H2,24,29)(H,25,27)/b9-8-
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n/an/a 270n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242653
PNG
(CHEMBL4074448)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCC(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C22H22FN3O3/c23-18-6-4-15(5-7-18)16-10-12-26(13-11-16)21(28)9-8-20(27)25-19-3-1-2-17(14-19)22(24)29/h1-9,14,16H,10-13H2,(H2,24,29)(H,25,27)/b9-8-
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n/an/a 275n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50242653
PNG
(CHEMBL4074448)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCC(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C22H22FN3O3/c23-18-6-4-15(5-7-18)16-10-12-26(13-11-16)21(28)9-8-20(27)25-19-3-1-2-17(14-19)22(24)29/h1-9,14,16H,10-13H2,(H2,24,29)(H,25,27)/b9-8-
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n/an/a 275n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50242660
PNG
(CHEMBL4087082)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C21H22N4O3/c22-21(28)16-5-4-6-17(15-16)23-19(26)9-10-20(27)25-13-11-24(12-14-25)18-7-2-1-3-8-18/h1-10,15H,11-14H2,(H2,22,28)(H,23,26)/b10-9-
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n/an/a 363n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50242660
PNG
(CHEMBL4087082)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C21H22N4O3/c22-21(28)16-5-4-6-17(15-16)23-19(26)9-10-20(27)25-13-11-24(12-14-25)18-7-2-1-3-8-18/h1-10,15H,11-14H2,(H2,22,28)(H,23,26)/b10-9-
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n/an/a 370n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242657
PNG
(CHEMBL4104938)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C20H26N4O5/c1-20(2,3)29-19(28)24-11-9-23(10-12-24)17(26)8-7-16(25)22-15-6-4-5-14(13-15)18(21)27/h4-8,13H,9-12H2,1-3H3,(H2,21,27)(H,22,25)/b8-7-
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n/an/a 370n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242657
PNG
(CHEMBL4104938)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C20H26N4O5/c1-20(2,3)29-19(28)24-11-9-23(10-12-24)17(26)8-7-16(25)22-15-6-4-5-14(13-15)18(21)27/h4-8,13H,9-12H2,1-3H3,(H2,21,27)(H,22,25)/b8-7-
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n/an/a 372n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242661
PNG
(CHEMBL4079213)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccccc2F)c1
Show InChI InChI=1S/C21H21FN4O3/c22-17-6-1-2-7-18(17)25-10-12-26(13-11-25)20(28)9-8-19(27)24-16-5-3-4-15(14-16)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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n/an/a 407n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242661
PNG
(CHEMBL4079213)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccccc2F)c1
Show InChI InChI=1S/C21H21FN4O3/c22-17-6-1-2-7-18(17)25-10-12-26(13-11-25)20(28)9-8-19(27)24-16-5-3-4-15(14-16)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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n/an/a 410n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242654
PNG
(CHEMBL4104503)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C23H25N3O3/c24-23(29)19-7-4-8-20(16-19)25-21(27)9-10-22(28)26-13-11-18(12-14-26)15-17-5-2-1-3-6-17/h1-10,16,18H,11-15H2,(H2,24,29)(H,25,27)/b10-9-
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n/an/a 447n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242654
PNG
(CHEMBL4104503)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C23H25N3O3/c24-23(29)19-7-4-8-20(16-19)25-21(27)9-10-22(28)26-13-11-18(12-14-26)15-17-5-2-1-3-6-17/h1-10,16,18H,11-15H2,(H2,24,29)(H,25,27)/b10-9-
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n/an/a 450n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50242661
PNG
(CHEMBL4079213)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccccc2F)c1
Show InChI InChI=1S/C21H21FN4O3/c22-17-6-1-2-7-18(17)25-10-12-26(13-11-25)20(28)9-8-19(27)24-16-5-3-4-15(14-16)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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n/an/a 501n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50242661
PNG
(CHEMBL4079213)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccccc2F)c1
Show InChI InChI=1S/C21H21FN4O3/c22-17-6-1-2-7-18(17)25-10-12-26(13-11-25)20(28)9-8-19(27)24-16-5-3-4-15(14-16)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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n/an/a 510n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP15


(Homo sapiens (Human))		BDBM50242630
PNG
(CHEMBL4089522)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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n/an/a 520n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged PARP15 (unknown origin) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP16


(Homo sapiens (Human))		BDBM50242630
PNG
(CHEMBL4089522)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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n/an/a 560n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged PARP16 (unknown origin) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50242630
PNG
(CHEMBL4089522)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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n/an/a 560n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50242630
PNG
(CHEMBL4089522)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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n/an/a 562n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242655
PNG
(CHEMBL4080281)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCC(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C24H27N3O3/c25-24(30)20-7-4-8-21(17-20)26-22(28)11-12-23(29)27-15-13-19(14-16-27)10-9-18-5-2-1-3-6-18/h1-8,11-12,17,19H,9-10,13-16H2,(H2,25,30)(H,26,28)/b12-11-
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n/an/a 650n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242655
PNG
(CHEMBL4080281)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCC(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C24H27N3O3/c25-24(30)20-7-4-8-21(17-20)26-22(28)11-12-23(29)27-15-13-19(14-16-27)10-9-18-5-2-1-3-6-18/h1-8,11-12,17,19H,9-10,13-16H2,(H2,25,30)(H,26,28)/b12-11-
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n/an/a 676n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242658
PNG
(CHEMBL4085694)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C22H23N3O3/c23-22(28)17-8-4-10-19(14-17)24-20(26)11-12-21(27)25-13-5-9-18(15-25)16-6-2-1-3-7-16/h1-4,6-8,10-12,14,18H,5,9,13,15H2,(H2,23,28)(H,24,26)/b12-11-
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n/an/a 690n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242658
PNG
(CHEMBL4085694)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C22H23N3O3/c23-22(28)17-8-4-10-19(14-17)24-20(26)11-12-21(27)25-13-5-9-18(15-25)16-6-2-1-3-7-16/h1-4,6-8,10-12,14,18H,5,9,13,15H2,(H2,23,28)(H,24,26)/b12-11-
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n/an/a 692n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242630
PNG
(CHEMBL4089522)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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n/an/a 700n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H](+)-NAN binding to haloperidol-sensitive sigma binding site in whole guinea pig brain

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242630
PNG
(CHEMBL4089522)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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n/an/a 708n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50242626
PNG
(CHEMBL4097232)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C27H26N4O3/c28-27(34)22-7-4-8-23(19-22)29-25(32)13-14-26(33)31-17-15-30(16-18-31)24-11-9-21(10-12-24)20-5-2-1-3-6-20/h1-14,19H,15-18H2,(H2,28,34)(H,29,32)/b14-13-
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n/an/a 800n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50242626
PNG
(CHEMBL4097232)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C27H26N4O3/c28-27(34)22-7-4-8-23(19-22)29-25(32)13-14-26(33)31-17-15-30(16-18-31)24-11-9-21(10-12-24)20-5-2-1-3-6-20/h1-14,19H,15-18H2,(H2,28,34)(H,29,32)/b14-13-
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n/an/a 813n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242660
PNG
(CHEMBL4087082)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C21H22N4O3/c22-21(28)16-5-4-6-17(15-16)23-19(26)9-10-20(27)25-13-11-24(12-14-25)18-7-2-1-3-8-18/h1-10,15H,11-14H2,(H2,22,28)(H,23,26)/b10-9-
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n/an/a 891n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50242631
PNG
(CHEMBL4068366)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H21ClN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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n/an/a 900n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP5a catalytic domain (1091 to 1325 residues) expressed in Escherichia coli BL21(DE3) preincubated for ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242660
PNG
(CHEMBL4087082)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C21H22N4O3/c22-21(28)16-5-4-6-17(15-16)23-19(26)9-10-20(27)25-13-11-24(12-14-25)18-7-2-1-3-8-18/h1-10,15H,11-14H2,(H2,22,28)(H,23,26)/b10-9-
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n/an/a 900n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H](+)-NAN binding to haloperidol-sensitive sigma binding site in whole guinea pig brain

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50242631
PNG
(CHEMBL4068366)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H21ClN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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n/an/a 977n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP5a catalytic domain (1091 to 1325 residues) expressed in Escherichia coli BL21(DE3) preincubated for ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242633
PNG
(CHEMBL4103623)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCC(C2)Oc2ccccc2)c1
Show InChI InChI=1S/C22H23N3O4/c23-22(28)16-6-4-7-17(14-16)24-20(26)11-12-21(27)25-13-5-10-19(15-25)29-18-8-2-1-3-9-18/h1-4,6-9,11-12,14,19H,5,10,13,15H2,(H2,23,28)(H,24,26)/b12-11-
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n/an/a 1.02E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242633
PNG
(CHEMBL4103623)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCC(C2)Oc2ccccc2)c1
Show InChI InChI=1S/C22H23N3O4/c23-22(28)16-6-4-7-17(14-16)24-20(26)11-12-21(27)25-13-5-10-19(15-25)29-18-8-2-1-3-9-18/h1-4,6-9,11-12,14,19H,5,10,13,15H2,(H2,23,28)(H,24,26)/b12-11-
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n/an/a 1.02E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242665
PNG
(CHEMBL4101019)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCCC2c2ccccc2)c1
Show InChI InChI=1S/C22H23N3O3/c23-22(28)17-9-6-10-18(15-17)24-20(26)12-13-21(27)25-14-5-4-11-19(25)16-7-2-1-3-8-16/h1-3,6-10,12-13,15,19H,4-5,11,14H2,(H2,23,28)(H,24,26)/b13-12-
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n/an/a 1.07E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242665
PNG
(CHEMBL4101019)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCCC2c2ccccc2)c1
Show InChI InChI=1S/C22H23N3O3/c23-22(28)17-9-6-10-18(15-17)24-20(26)12-13-21(27)25-14-5-4-11-19(25)16-7-2-1-3-8-16/h1-3,6-10,12-13,15,19H,4-5,11,14H2,(H2,23,28)(H,24,26)/b13-12-
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n/an/a 1.10E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50242658
PNG
(CHEMBL4085694)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C22H23N3O3/c23-22(28)17-8-4-10-19(14-17)24-20(26)11-12-21(27)25-13-5-9-18(15-25)16-6-2-1-3-7-16/h1-4,6-8,10-12,14,18H,5,9,13,15H2,(H2,23,28)(H,24,26)/b12-11-
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n/an/a 1.55E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50242658
PNG
(CHEMBL4085694)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C22H23N3O3/c23-22(28)17-8-4-10-19(14-17)24-20(26)11-12-21(27)25-13-5-9-18(15-25)16-6-2-1-3-7-16/h1-4,6-8,10-12,14,18H,5,9,13,15H2,(H2,23,28)(H,24,26)/b12-11-
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n/an/a 1.60E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242663
PNG
(CHEMBL4101188)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCC(CC2)c2ccccc2)c1
Show InChI InChI=1S/C22H23N3O3/c23-22(28)18-7-4-8-19(15-18)24-20(26)9-10-21(27)25-13-11-17(12-14-25)16-5-2-1-3-6-16/h1-10,15,17H,11-14H2,(H2,23,28)(H,24,26)/b10-9-
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n/an/a 2.20E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242663
PNG
(CHEMBL4101188)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCC(CC2)c2ccccc2)c1
Show InChI InChI=1S/C22H23N3O3/c23-22(28)18-7-4-8-19(15-18)24-20(26)9-10-21(27)25-13-11-17(12-14-25)16-5-2-1-3-6-16/h1-10,15,17H,11-14H2,(H2,23,28)(H,24,26)/b10-9-
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n/an/a 2.24E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242652
PNG
(CHEMBL4084742)
Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C20H25N3O5/c1-2-28-19(26)12-14-8-10-23(11-9-14)18(25)7-6-17(24)22-16-5-3-4-15(13-16)20(21)27/h3-7,13-14H,2,8-12H2,1H3,(H2,21,27)(H,22,24)/b7-6-
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n/an/a 2.40E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242652
PNG
(CHEMBL4084742)
Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C20H25N3O5/c1-2-28-19(26)12-14-8-10-23(11-9-14)18(25)7-6-17(24)22-16-5-3-4-15(13-16)20(21)27/h3-7,13-14H,2,8-12H2,1H3,(H2,21,27)(H,22,24)/b7-6-
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n/an/a 2.40E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50242630
PNG
(CHEMBL4089522)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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n/an/a 2.69E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP5a catalytic domain (1091 to 1325 residues) expressed in Escherichia coli BL21(DE3) preincubated for ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50242630
PNG
(CHEMBL4089522)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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n/an/a 2.70E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP5a catalytic domain (1091 to 1325 residues) expressed in Escherichia coli BL21(DE3) preincubated for ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50242658
PNG
(CHEMBL4085694)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C22H23N3O3/c23-22(28)17-8-4-10-19(14-17)24-20(26)11-12-21(27)25-13-5-9-18(15-25)16-6-2-1-3-7-16/h1-4,6-8,10-12,14,18H,5,9,13,15H2,(H2,23,28)(H,24,26)/b12-11-
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n/an/a 2.70E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP5a catalytic domain (1091 to 1325 residues) expressed in Escherichia coli BL21(DE3) preincubated for ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50242658
PNG
(CHEMBL4085694)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C22H23N3O3/c23-22(28)17-8-4-10-19(14-17)24-20(26)11-12-21(27)25-13-5-9-18(15-25)16-6-2-1-3-7-16/h1-4,6-8,10-12,14,18H,5,9,13,15H2,(H2,23,28)(H,24,26)/b12-11-
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n/an/a 2.70E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP5a catalytic domain (1091 to 1325 residues) expressed in Escherichia coli BL21(DE3) preincubated for ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242662
PNG
(CHEMBL4059706)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ncccn2)c1
Show InChI InChI=1S/C19H20N6O3/c20-18(28)14-3-1-4-15(13-14)23-16(26)5-6-17(27)24-9-11-25(12-10-24)19-21-7-2-8-22-19/h1-8,13H,9-12H2,(H2,20,28)(H,23,26)/b6-5-
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n/an/a 2.80E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242662
PNG
(CHEMBL4059706)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ncccn2)c1
Show InChI InChI=1S/C19H20N6O3/c20-18(28)14-3-1-4-15(13-14)23-16(26)5-6-17(27)24-9-11-25(12-10-24)19-21-7-2-8-22-19/h1-8,13H,9-12H2,(H2,20,28)(H,23,26)/b6-5-
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n/an/a 2.82E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242625
PNG
(CHEMBL4081650)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H24N4O4/c1-30-19-7-5-18(6-8-19)25-11-13-26(14-12-25)21(28)10-9-20(27)24-17-4-2-3-16(15-17)22(23)29/h2-10,15H,11-14H2,1H3,(H2,23,29)(H,24,27)/b10-9-
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n/an/a 3.39E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242625
PNG
(CHEMBL4081650)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H24N4O4/c1-30-19-7-5-18(6-8-19)25-11-13-26(14-12-25)21(28)10-9-20(27)24-17-4-2-3-16(15-17)22(23)29/h2-10,15H,11-14H2,1H3,(H2,23,29)(H,24,27)/b10-9-
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n/an/a 3.40E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242659
PNG
(CHEMBL4093441)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCCC2Cc2ccccc2)c1
Show InChI InChI=1S/C23H25N3O3/c24-23(29)18-9-6-10-19(16-18)25-21(27)12-13-22(28)26-14-5-4-11-20(26)15-17-7-2-1-3-8-17/h1-3,6-10,12-13,16,20H,4-5,11,14-15H2,(H2,24,29)(H,25,27)/b13-12-
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n/an/a 3.50E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242659
PNG
(CHEMBL4093441)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCCC2Cc2ccccc2)c1
Show InChI InChI=1S/C23H25N3O3/c24-23(29)18-9-6-10-19(16-18)25-21(27)12-13-22(28)26-14-5-4-11-20(26)15-17-7-2-1-3-8-17/h1-3,6-10,12-13,16,20H,4-5,11,14-15H2,(H2,24,29)(H,25,27)/b13-12-
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n/an/a 3.55E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]DTG binding to haloperidol-sensitive sigma binding site in whole guinea pig brain

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242626
PNG
(CHEMBL4097232)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C27H26N4O3/c28-27(34)22-7-4-8-23(19-22)29-25(32)13-14-26(33)31-17-15-30(16-18-31)24-11-9-21(10-12-24)20-5-2-1-3-6-20/h1-14,19H,15-18H2,(H2,28,34)(H,29,32)/b14-13-
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n/an/a 4.17E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242626
PNG
(CHEMBL4097232)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C27H26N4O3/c28-27(34)22-7-4-8-23(19-22)29-25(32)13-14-26(33)31-17-15-30(16-18-31)24-11-9-21(10-12-24)20-5-2-1-3-6-20/h1-14,19H,15-18H2,(H2,28,34)(H,29,32)/b14-13-
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n/an/a 4.20E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50242654
PNG
(CHEMBL4104503)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C23H25N3O3/c24-23(29)19-7-4-8-20(16-19)25-21(27)9-10-22(28)26-13-11-18(12-14-26)15-17-5-2-1-3-6-17/h1-10,16,18H,11-15H2,(H2,24,29)(H,25,27)/b10-9-
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n/an/a 4.79E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP5a catalytic domain (1091 to 1325 residues) expressed in Escherichia coli BL21(DE3) preincubated for ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50242654
PNG
(CHEMBL4104503)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C23H25N3O3/c24-23(29)19-7-4-8-20(16-19)25-21(27)9-10-22(28)26-13-11-18(12-14-26)15-17-5-2-1-3-6-17/h1-10,16,18H,11-15H2,(H2,24,29)(H,25,27)/b10-9-
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n/an/a 4.80E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP5a catalytic domain (1091 to 1325 residues) expressed in Escherichia coli BL21(DE3) preincubated for ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50242660
PNG
(CHEMBL4087082)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C21H22N4O3/c22-21(28)16-5-4-6-17(15-16)23-19(26)9-10-20(27)25-13-11-24(12-14-25)18-7-2-1-3-8-18/h1-10,15H,11-14H2,(H2,22,28)(H,23,26)/b10-9-
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n/an/a 6.00E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP5a catalytic domain (1091 to 1325 residues) expressed in Escherichia coli BL21(DE3) preincubated for ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50242660
PNG
(CHEMBL4087082)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C21H22N4O3/c22-21(28)16-5-4-6-17(15-16)23-19(26)9-10-20(27)25-13-11-24(12-14-25)18-7-2-1-3-8-18/h1-10,15H,11-14H2,(H2,22,28)(H,23,26)/b10-9-
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n/an/a 6.31E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP5a catalytic domain (1091 to 1325 residues) expressed in Escherichia coli BL21(DE3) preincubated for ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50242653
PNG
(CHEMBL4074448)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCC(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C22H22FN3O3/c23-18-6-4-15(5-7-18)16-10-12-26(13-11-16)21(28)9-8-20(27)25-19-3-1-2-17(14-19)22(24)29/h1-9,14,16H,10-13H2,(H2,24,29)(H,25,27)/b9-8-
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n/an/a 7.94E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP5a catalytic domain (1091 to 1325 residues) expressed in Escherichia coli BL21(DE3) preincubated for ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50242653
PNG
(CHEMBL4074448)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCC(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C22H22FN3O3/c23-18-6-4-15(5-7-18)16-10-12-26(13-11-16)21(28)9-8-20(27)25-19-3-1-2-17(14-19)22(24)29/h1-9,14,16H,10-13H2,(H2,24,29)(H,25,27)/b9-8-
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n/an/a 8.00E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP5a catalytic domain (1091 to 1325 residues) expressed in Escherichia coli BL21(DE3) preincubated for ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP12


(Homo sapiens (Human))		BDBM50242630
PNG
(CHEMBL4089522)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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n/an/a 8.20E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged PARP12 (unknown origin) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50242661
PNG
(CHEMBL4079213)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccccc2F)c1
Show InChI InChI=1S/C21H21FN4O3/c22-17-6-1-2-7-18(17)25-10-12-26(13-11-25)20(28)9-8-19(27)24-16-5-3-4-15(14-16)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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n/an/a 9.33E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP5a catalytic domain (1091 to 1325 residues) expressed in Escherichia coli BL21(DE3) preincubated for ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50242661
PNG
(CHEMBL4079213)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccccc2F)c1
Show InChI InChI=1S/C21H21FN4O3/c22-17-6-1-2-7-18(17)25-10-12-26(13-11-25)20(28)9-8-19(27)24-16-5-3-4-15(14-16)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
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n/an/a 9.40E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP5a catalytic domain (1091 to 1325 residues) expressed in Escherichia coli BL21(DE3) preincubated for ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50242626
PNG
(CHEMBL4097232)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C27H26N4O3/c28-27(34)22-7-4-8-23(19-22)29-25(32)13-14-26(33)31-17-15-30(16-18-31)24-11-9-21(10-12-24)20-5-2-1-3-6-20/h1-14,19H,15-18H2,(H2,28,34)(H,29,32)/b14-13-
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n/an/a 9.77E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP5a catalytic domain (1091 to 1325 residues) expressed in Escherichia coli BL21(DE3) preincubated for ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50242626
PNG
(CHEMBL4097232)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C27H26N4O3/c28-27(34)22-7-4-8-23(19-22)29-25(32)13-14-26(33)31-17-15-30(16-18-31)24-11-9-21(10-12-24)20-5-2-1-3-6-20/h1-14,19H,15-18H2,(H2,28,34)(H,29,32)/b14-13-
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n/an/a 9.80E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP5a catalytic domain (1091 to 1325 residues) expressed in Escherichia coli BL21(DE3) preincubated for ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))		BDBM50242632
PNG
(CHEMBL4065025)
Show SMILES NC(=O)c1cccc(c1)N1C(=O)CC(N2CCN(CC2)c2ccccc2F)C1=O
Show InChI InChI=1S/C21H21FN4O3/c22-16-6-1-2-7-17(16)24-8-10-25(11-9-24)18-13-19(27)26(21(18)29)15-5-3-4-14(12-15)20(23)28/h1-7,12,18H,8-11,13H2,(H2,23,28)
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n/an/a>2.00E+4n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...

Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%