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Compile Data Set for Download or QSAR

Found 692 hits of ic50 data for polymerid = 8407   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM434315
PNG
(US10562891, Example 235 | US11008308, Example 235)
Show SMILES O[C@H]1CC[C@@H](CC1)SCc1nc2cc(OCC3CC3)cc(F)c2c(=O)[nH]1 |r,wU:4.7,wD:1.0,(8.77,-4.62,;7.44,-3.85,;7.44,-2.31,;6.1,-1.54,;4.77,-2.31,;4.77,-3.85,;6.1,-4.62,;3.44,-1.54,;3.44,,;2.1,.77,;.77,,;-.56,.77,;-1.9,,;-3.23,.77,;-4.56,,;-5.9,.77,;-7.23,,;-8.77,,;-8,-1.33,;-3.23,2.31,;-1.9,3.08,;-1.9,4.62,;-.56,2.31,;.77,3.08,;.77,4.62,;2.1,2.31,)|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI: 10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM434315
PNG
(US10562891, Example 235 | US11008308, Example 235)
Show SMILES O[C@H]1CC[C@@H](CC1)SCc1nc2cc(OCC3CC3)cc(F)c2c(=O)[nH]1 |r,wU:4.7,wD:1.0,(8.77,-4.62,;7.44,-3.85,;7.44,-2.31,;6.1,-1.54,;4.77,-2.31,;4.77,-3.85,;6.1,-4.62,;3.44,-1.54,;3.44,,;2.1,.77,;.77,,;-.56,.77,;-1.9,,;-3.23,.77,;-4.56,,;-5.9,.77,;-7.23,,;-8.77,,;-8,-1.33,;-3.23,2.31,;-1.9,3.08,;-1.9,4.62,;-.56,2.31,;.77,3.08,;.77,4.62,;2.1,2.31,)|
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114362
BindingDB Entry DOI: 10.7270/Q20V8HSS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50594259
PNG
(CHEMBL5180081)
Show SMILES Fc1cc(NC2CCCC2)cc2nc(CSC3CCN(CC(=O)NCCCCCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)[nH]c(=O)c12
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI: 10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM434254
PNG
(US10562891, Example 176 | US11008308, Example 176)
Show SMILES Fc1cc(NC2CCCC2)cc2nc(CSC3CCNCC3)[nH]c(=O)c12
Show InChI InChI=1S/C19H25FN4OS/c20-15-9-13(22-12-3-1-2-4-12)10-16-18(15)19(25)24-17(23-16)11-26-14-5-7-21-8-6-14/h9-10,12,14,21-22H,1-8,11H2,(H,23,24,25)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI: 10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50594258
PNG
(CHEMBL5178541)
Show SMILES CN1CCC(CNc2nc3sc4CCCCc4c3c(=O)[nH]2)CC1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI: 10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant His6-tagged PARP14 catalytic domain (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence ba...


Bioorg Med Chem Lett 28: 2050-2054 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.056
BindingDB Entry DOI: 10.7270/Q2RR21R2
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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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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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))
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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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))
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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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))
BDBM434101
PNG
(US10562891, Example 23 | US11008308, Example 23)
Show SMILES Cc1cccc2c1nc(CS[C@H]1CC[C@H](O)CC1)[nH]c2=O |r,wU:11.11,wD:14.15,(5.33,1.54,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-2.67,,;-4,-.77,;-5.33,,;-5.33,1.54,;-6.67,2.31,;-4,2.31,;-2.67,1.54,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI: 10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50594256
PNG
(CHEMBL5196898)
Show SMILES O=c1[nH]c(NCc2ccncc2)nc2sc3CCCCc3c12
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI: 10.7270/Q26D5Z03
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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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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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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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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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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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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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))
BDBM50594244
PNG
(CHEMBL5205408)
Show SMILES NC(=O)c1cccc(NC(=O)CCC(=O)NCCc2cn(CCNS(=O)(=O)c3cccc(c3)C(O)=O)nn2)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI: 10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50594255
PNG
(CHEMBL5199759)
Show SMILES C(COc1ccc2nncn2n1)CN1CCC(CC1)OC(c1ccccc1)c1ccccc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI: 10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50594257
PNG
(CHEMBL5191979)
Show SMILES C(CCN1CCC(CC1)OC(c1ccccc1)c1ccccc1)CNc1ccc2nncn2n1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI: 10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50468597
PNG
(CHEMBL4293771)
Show SMILES NC(=O)c1ccc(OCc2cccc(Br)c2)cc1
Show InChI InChI=1S/C14H12BrNO2/c15-12-3-1-2-10(8-12)9-18-13-6-4-11(5-7-13)14(16)17/h1-8H,9H2,(H2,16,17)
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n/an/a 630n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP14 (unknown origin) using NAD+ as substrate incubated for 18 hrs by fluorescence based assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116511
BindingDB Entry DOI: 10.7270/Q24B3566
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))
BDBM50460988
PNG
(CHEMBL4226482)
Show SMILES O=S(=O)(Cc1cccc(c1)C#N)Nc1ccccc1-c1cccc2c1[nH]c1ccccc21
Show InChI InChI=1S/C26H19N3O2S/c27-16-18-7-5-8-19(15-18)17-32(30,31)29-25-14-4-2-10-21(25)23-12-6-11-22-20-9-1-3-13-24(20)28-26(22)23/h1-15,28-29H,17H2
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n/an/a 660n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of ARTK(Bio)QTARK(Aoa-RADP)S from His6-tagged PARP14 MD2 (A994 to N1191 residues) (unknown origin) expressed in bacterial expression sys...


Bioorg Med Chem 26: 2965-2972 (2018)


Article DOI: 10.1016/j.bmc.2018.03.020
BindingDB Entry DOI: 10.7270/Q24T6N1Q
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))
BDBM50272968
PNG
(CHEMBL4126260)
Show SMILES NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCN(CC2)c2ccc(F)c(F)c2)cc1
Show InChI InChI=1S/C24H21F2N3O3/c25-21-9-6-18(15-22(21)26)28-10-12-29(13-11-28)24(31)17-2-1-3-20(14-17)32-19-7-4-16(5-8-19)23(27)30/h1-9,14-15H,10-13H2,(H2,27,30)
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n/an/a 692n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant His6-tagged human PARP14 WWA/catalytic domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins ...


Bioorg Med Chem Lett 28: 2050-2054 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.056
BindingDB Entry DOI: 10.7270/Q2RR21R2
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 700n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant His6-tagged PARP14 catalytic domain (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence ba...


Bioorg Med Chem Lett 28: 2050-2054 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.056
BindingDB Entry DOI: 10.7270/Q2RR21R2
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50272968
PNG
(CHEMBL4126260)
Show SMILES NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCN(CC2)c2ccc(F)c(F)c2)cc1
Show InChI InChI=1S/C24H21F2N3O3/c25-21-9-6-18(15-22(21)26)28-10-12-29(13-11-28)24(31)17-2-1-3-20(14-17)32-19-7-4-16(5-8-19)23(27)30/h1-9,14-15H,10-13H2,(H2,27,30)
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n/an/a 700n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant His6-tagged human PARP14 WWA/catalytic domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins ...


Bioorg Med Chem Lett 28: 2050-2054 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.056
BindingDB Entry DOI: 10.7270/Q2RR21R2
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
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50461016
PNG
(CHEMBL4226393)
Show SMILES CC(=O)Nc1ccccc1-c1cccc2c3ccccc3[nH]c12
Show InChI InChI=1S/C20H16N2O/c1-13(23)21-18-11-4-2-7-14(18)16-9-6-10-17-15-8-3-5-12-19(15)22-20(16)17/h2-12,22H,1H3,(H,21,23)
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n/an/a 710n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI: 10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50461016
PNG
(CHEMBL4226393)
Show SMILES CC(=O)Nc1ccccc1-c1cccc2c3ccccc3[nH]c12
Show InChI InChI=1S/C20H16N2O/c1-13(23)21-18-11-4-2-7-14(18)16-9-6-10-17-15-8-3-5-12-19(15)22-20(16)17/h2-12,22H,1H3,(H,21,23)
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n/an/a 720n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of ARTK(Bio)QTARK(Aoa-RADP)S from His6-tagged PARP14 MD2 (A994 to N1191 residues) (unknown origin) expressed in bacterial expression sys...


Bioorg Med Chem 26: 2965-2972 (2018)


Article DOI: 10.1016/j.bmc.2018.03.020
BindingDB Entry DOI: 10.7270/Q24T6N1Q
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50594245
PNG
(CHEMBL5186947)
Show SMILES CC(c1ccccc1)n1cc(CNC(=O)CCCC(=O)Nc2cccc(c2)C(N)=O)nn1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI: 10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50594246
PNG
(CHEMBL5181342)
Show SMILES CC(C)NC(=O)[C@H](CCCCNC(=O)CCC(=O)Nc1cccc(c1)C(N)=O)NS(=O)(=O)c1cc(ccc1C)[N+]([O-])=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI: 10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50272955
PNG
(CHEMBL4129001)
Show SMILES NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H22FN3O3/c25-19-6-8-20(9-7-19)27-12-14-28(15-13-27)24(30)18-2-1-3-22(16-18)31-21-10-4-17(5-11-21)23(26)29/h1-11,16H,12-15H2,(H2,26,29)
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n/an/a 776n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant His6-tagged human PARP14 WWA/catalytic domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins ...


Bioorg Med Chem Lett 28: 2050-2054 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.056
BindingDB Entry DOI: 10.7270/Q2RR21R2
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50272955
PNG
(CHEMBL4129001)
Show SMILES NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H22FN3O3/c25-19-6-8-20(9-7-19)27-12-14-28(15-13-27)24(30)18-2-1-3-22(16-18)31-21-10-4-17(5-11-21)23(26)29/h1-11,16H,12-15H2,(H2,26,29)
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n/an/a 780n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant His6-tagged human PARP14 WWA/catalytic domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins ...


Bioorg Med Chem Lett 28: 2050-2054 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.056
BindingDB Entry DOI: 10.7270/Q2RR21R2
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
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
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50461015
PNG
(CHEMBL4228040)
Show SMILES CS(=O)(=O)Nc1ccccc1-c1cccc2c1[nH]c1ccccc21
Show InChI InChI=1S/C19H16N2O2S/c1-24(22,23)21-18-12-5-3-8-14(18)16-10-6-9-15-13-7-2-4-11-17(13)20-19(15)16/h2-12,20-21H,1H3
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n/an/a 900n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of ARTK(Bio)QTARK(Aoa-RADP)S from His6-tagged PARP14 MD2 (A994 to N1191 residues) (unknown origin) expressed in bacterial expression sys...


Bioorg Med Chem 26: 2965-2972 (2018)


Article DOI: 10.1016/j.bmc.2018.03.020
BindingDB Entry DOI: 10.7270/Q24T6N1Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50460999
PNG
(CHEMBL4226081)
Show SMILES CCCC(=O)Nc1ccccc1-c1cccc2c1[nH]c1ccccc21
Show InChI InChI=1S/C22H20N2O/c1-2-8-21(25)23-19-13-5-3-9-15(19)17-11-7-12-18-16-10-4-6-14-20(16)24-22(17)18/h3-7,9-14,24H,2,8H2,1H3,(H,23,25)
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n/an/a 900n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of ARTK(Bio)QTARK(Aoa-RADP)S from His6-tagged PARP14 MD2 (A994 to N1191 residues) (unknown origin) expressed in bacterial expression sys...


Bioorg Med Chem 26: 2965-2972 (2018)


Article DOI: 10.1016/j.bmc.2018.03.020
BindingDB Entry DOI: 10.7270/Q24T6N1Q
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50594250
PNG
(CHEMBL5207717)
Show SMILES CC#Cc1ccc2c(nc(CSc3ccc(cc3)C(O)=O)[nH]c2=O)c1C
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n/an/a 917n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI: 10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50461017
PNG
(CHEMBL4229283)
Show SMILES Cc1ccc(CC(=O)Nc2ccccc2-c2cccc3c4ccccc4[nH]c23)cn1
Show InChI InChI=1S/C26H21N3O/c1-17-13-14-18(16-27-17)15-25(30)28-23-11-4-2-7-19(23)21-9-6-10-22-20-8-3-5-12-24(20)29-26(21)22/h2-14,16,29H,15H2,1H3,(H,28,30)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of ARTK(Bio)QTARK(Aoa-RADP)S from His6-tagged PARP14 MD2 (A994 to N1191 residues) (unknown origin) expressed in bacterial expression sys...


Bioorg Med Chem 26: 2965-2972 (2018)


Article DOI: 10.1016/j.bmc.2018.03.020
BindingDB Entry DOI: 10.7270/Q24T6N1Q
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50461040
PNG
(CHEMBL4227680)
Show SMILES CCC(=O)Nc1ccccc1-c1cccc2c1[nH]c1ccccc21
Show InChI InChI=1S/C21H18N2O/c1-2-20(24)22-18-12-5-3-8-14(18)16-10-7-11-17-15-9-4-6-13-19(15)23-21(16)17/h3-13,23H,2H2,1H3,(H,22,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of ARTK(Bio)QTARK(Aoa-RADP)S from His6-tagged PARP14 MD2 (A994 to N1191 residues) (unknown origin) expressed in bacterial expression sys...


Bioorg Med Chem 26: 2965-2972 (2018)


Article DOI: 10.1016/j.bmc.2018.03.020
BindingDB Entry DOI: 10.7270/Q24T6N1Q
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM434080
PNG
(US10562891, Example 2 | US11008308, Example 2)
Show SMILES Cc1cccc2c1nc(CSC1CCOCC1)[nH]c2=O
Show InChI InChI=1S/C15H18N2O2S/c1-10-3-2-4-12-14(10)16-13(17-15(12)18)9-20-11-5-7-19-8-6-11/h2-4,11H,5-9H2,1H3,(H,16,17,18)
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US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Ribon Therapeutics Inc.

US Patent


Assay Description
Enzymatic inhibition of PARP14 was measured using a dissociation-enhanced lanthanide fluorescence immunoassay (DELFIA) monitoring the auto-modificati...


US Patent US11008308 (2021)


BindingDB Entry DOI: 10.7270/Q28D00C5
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM434086
PNG
(US10562891, Example 8 | US11008308, Example 8)
Show SMILES Cc1ccc(F)c2c1nc(CSC1CCOCC1)[nH]c2=O
Show InChI InChI=1S/C15H17FN2O2S/c1-9-2-3-11(16)13-14(9)17-12(18-15(13)19)8-21-10-4-6-20-7-5-10/h2-3,10H,4-8H2,1H3,(H,17,18,19)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Ribon Therapeutics Inc.

US Patent


Assay Description
Enzymatic inhibition of PARP14 was measured using a dissociation-enhanced lanthanide fluorescence immunoassay (DELFIA) monitoring the auto-modificati...


US Patent US11008308 (2021)


BindingDB Entry DOI: 10.7270/Q28D00C5
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM434091
PNG
(US10562891, Example 13 | US11008308, Example 13)
Show SMILES Cc1cccc2c1nc(CSC1CCNCC1)[nH]c2=O
Show InChI InChI=1S/C15H19N3OS/c1-10-3-2-4-12-14(10)17-13(18-15(12)19)9-20-11-5-7-16-8-6-11/h2-4,11,16H,5-9H2,1H3,(H,17,18,19)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Ribon Therapeutics Inc.

US Patent


Assay Description
Enzymatic inhibition of PARP14 was measured using a dissociation-enhanced lanthanide fluorescence immunoassay (DELFIA) monitoring the auto-modificati...


US Patent US11008308 (2021)


BindingDB Entry DOI: 10.7270/Q28D00C5
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM434096
PNG
(US10562891, Example 18 | US11008308, Example 18)
Show SMILES Cc1cccc2c1nc(CSC1CCN(Cc3ccccn3)CC1)[nH]c2=O
Show InChI InChI=1S/C21H24N4OS/c1-15-5-4-7-18-20(15)23-19(24-21(18)26)14-27-17-8-11-25(12-9-17)13-16-6-2-3-10-22-16/h2-7,10,17H,8-9,11-14H2,1H3,(H,23,24,26)
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Ribon Therapeutics Inc.

US Patent


Assay Description
Enzymatic inhibition of PARP14 was measured using a dissociation-enhanced lanthanide fluorescence immunoassay (DELFIA) monitoring the auto-modificati...


US Patent US11008308 (2021)


BindingDB Entry DOI: 10.7270/Q28D00C5
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM434098
PNG
(US10562891, Example 20 | US11008308, Example 20)
Show SMILES Cc1cccc2c1nc(CSC1CCCNCC1)[nH]c2=O
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US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Ribon Therapeutics Inc.

US Patent


Assay Description
Enzymatic inhibition of PARP14 was measured using a dissociation-enhanced lanthanide fluorescence immunoassay (DELFIA) monitoring the auto-modificati...


US Patent US11008308 (2021)


BindingDB Entry DOI: 10.7270/Q28D00C5
More data for this
Ligand-Target Pair
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