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Compile Data Set for Download or QSAR

Found 523 hits with Last Name = 'ellis' and Initial = 'pa'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387945
PNG
(CHEMBL2058927 | US9283222, 511)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1cnccn1
Show InChI InChI=1S/C23H24FN7O2/c24-18-4-3-15(13-19-21-16(2-1-5-27-21)22(32)29-28-19)12-17(18)23(33)31-10-8-30(9-11-31)20-14-25-6-7-26-20/h3-4,6-7,12,14,27H,1-2,5,8-11,13H2,(H,29,32)
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0.400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387946
PNG
(CHEMBL2058928 | US9283222, 536)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C23H24FN7O2/c24-18-5-4-15(14-19-20-16(3-1-6-25-20)21(32)29-28-19)13-17(18)22(33)30-9-11-31(12-10-30)23-26-7-2-8-27-23/h2,4-5,7-8,13,25H,1,3,6,9-12,14H2,(H,29,32)
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0.400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387941
PNG
(CHEMBL2058922 | US9283222, 556)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
Show InChI InChI=1S/C20H24FN5O4S/c1-31(29,30)26-9-7-25(8-10-26)20(28)15-11-13(4-5-16(15)21)12-17-18-14(3-2-6-22-18)19(27)24-23-17/h4-5,11,22H,2-3,6-10,12H2,1H3,(H,24,27)
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0.700n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387914
PNG
(CHEMBL2058682 | US9283222, 507)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1N1C(=O)CCCC1=O
Show InChI InChI=1S/C19H19FN4O3/c20-13-7-6-11(10-15(13)24-16(25)4-1-5-17(24)26)9-14-18-12(3-2-8-21-18)19(27)23-22-14/h6-7,10,21H,1-5,8-9H2,(H,23,27)
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0.700n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300018
PNG
(2-(4-(Oxazol-5-yl)phenyl)-1H-benzo[d]imidazole-4-c...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C17H12N4O2/c18-16(22)12-2-1-3-13-15(12)21-17(20-13)11-6-4-10(5-7-11)14-8-19-9-23-14/h1-9H,(H2,18,22)(H,20,21)
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0.760n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387935
PNG
(CHEMBL2058916 | US9283222, 607)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCNC(=O)C1
Show InChI InChI=1S/C19H20FN5O3/c20-14-4-3-11(8-13(14)19(28)25-7-6-21-16(26)10-25)9-15-17-12(2-1-5-22-17)18(27)24-23-15/h3-4,8,22H,1-2,5-7,9-10H2,(H,21,26)(H,24,27)
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0.900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387938
PNG
(CHEMBL2058919)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H21F4N5O3/c22-15-4-3-12(11-16-17-13(2-1-5-26-17)18(31)28-27-16)10-14(15)19(32)29-6-8-30(9-7-29)20(33)21(23,24)25/h3-4,10,26H,1-2,5-9,11H2,(H,28,31)
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0.900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387944
PNG
(CHEMBL2058926 | US9283222, 545)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C24H25FN6O2/c25-19-7-6-16(15-20-22-17(4-3-9-27-22)23(32)29-28-20)14-18(19)24(33)31-12-10-30(11-13-31)21-5-1-2-8-26-21/h1-2,5-8,14,27H,3-4,9-13,15H2,(H,29,32)
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0.900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387948
PNG
(CHEMBL2058925 | US9283222, 695)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1cccnc1
Show InChI InChI=1S/C24H25FN6O2/c25-20-6-5-16(14-21-22-18(4-2-8-27-22)23(32)29-28-21)13-19(20)24(33)31-11-9-30(10-12-31)17-3-1-7-26-15-17/h1,3,5-7,13,15,27H,2,4,8-12,14H2,(H,29,32)
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0.900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387939
PNG
(CHEMBL2058920 | US9283222, 551)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H26FN5O3/c27-21-9-8-17(16-22-23-19(7-4-10-28-23)24(33)30-29-22)15-20(21)26(35)32-13-11-31(12-14-32)25(34)18-5-2-1-3-6-18/h1-3,5-6,8-9,15,28H,4,7,10-14,16H2,(H,30,33)
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0.900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300015
PNG
(2-(4-(Pyridin-3-yl)phenyl)-1H-benzo[d]imidazole-4-...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C19H14N4O/c20-18(24)15-4-1-5-16-17(15)23-19(22-16)13-8-6-12(7-9-13)14-3-2-10-21-11-14/h1-11H,(H2,20,24)(H,22,23)
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0.950n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300008
PNG
(2-(4-(1,3,4-Oxadiazol-2-yl)phenyl)-1H-benzo[d]imid...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1nnco1
Show InChI InChI=1S/C16H11N5O2/c17-14(22)11-2-1-3-12-13(11)20-15(19-12)9-4-6-10(7-5-9)16-21-18-8-23-16/h1-8H,(H2,17,22)(H,19,20)
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1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387940
PNG
(CHEMBL2058921 | US9283222, 512)
Show SMILES CN(C)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
Show InChI InChI=1S/C22H27FN6O3/c1-27(2)22(32)29-10-8-28(9-11-29)21(31)16-12-14(5-6-17(16)23)13-18-19-15(4-3-7-24-19)20(30)26-25-18/h5-6,12,24H,3-4,7-11,13H2,1-2H3,(H,26,30)
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1.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387942
PNG
(CHEMBL2058923 | US9283222, 546)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C25H26FN5O2/c26-21-9-8-17(16-22-23-19(7-4-10-27-23)24(32)29-28-22)15-20(21)25(33)31-13-11-30(12-14-31)18-5-2-1-3-6-18/h1-3,5-6,8-9,15,27H,4,7,10-14,16H2,(H,29,32)
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1.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300019
PNG
(2-(4-(1H-Imidazol-5-yl)phenyl)-1H-benzo[d]imidazol...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1c[nH]cn1
Show InChI InChI=1S/C17H13N5O/c18-16(23)12-2-1-3-13-15(12)22-17(21-13)11-6-4-10(5-7-11)14-8-19-9-20-14/h1-9H,(H2,18,23)(H,19,20)(H,21,22)
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1.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387943
PNG
(CHEMBL2058924 | US9283222, 510)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C24H25FN6O2/c25-20-4-3-16(15-21-22-18(2-1-7-27-22)23(32)29-28-21)14-19(20)24(33)31-12-10-30(11-13-31)17-5-8-26-9-6-17/h3-6,8-9,14,27H,1-2,7,10-13,15H2,(H,29,32)
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1.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387925
PNG
(CHEMBL2058688 | US9283222, 479)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1NC(=O)CCC(=O)c1ccccc1
Show InChI InChI=1S/C24H23FN4O3/c25-18-9-8-15(14-20-23-17(7-4-12-26-23)24(32)29-28-20)13-19(18)27-22(31)11-10-21(30)16-5-2-1-3-6-16/h1-3,5-6,8-9,13,26H,4,7,10-12,14H2,(H,27,31)(H,29,32)
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387936
PNG
(CHEMBL2058917 | US9283222, 506)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C23H26FN5O3/c24-18-6-3-14(13-19-20-16(2-1-7-25-20)21(30)27-26-19)12-17(18)23(32)29-10-8-28(9-11-29)22(31)15-4-5-15/h3,6,12,15,25H,1-2,4-5,7-11,13H2,(H,27,30)
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387937
PNG
(CHEMBL2058918 | US9283222, 559)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
Show InChI InChI=1S/C21H24FN5O3/c1-13(28)26-7-9-27(10-8-26)21(30)16-11-14(4-5-17(16)22)12-18-19-15(3-2-6-23-19)20(29)25-24-18/h4-5,11,23H,2-3,6-10,12H2,1H3,(H,25,29)
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387924
PNG
(CHEMBL2058687 | US9283222, 474)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1NC(=O)CCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C25H26FN5O3/c26-19-12-11-16(15-21-24-18(8-5-13-27-24)25(34)31-30-21)14-20(19)29-23(33)10-4-9-22(32)28-17-6-2-1-3-7-17/h1-3,6-7,11-12,14,27H,4-5,8-10,13,15H2,(H,28,32)(H,29,33)(H,31,34)
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1.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387916
PNG
(CHEMBL2058681)
Show SMILES Oc1ccc(O)n1-c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
Show InChI InChI=1S/C18H17FN4O3/c19-12-4-3-10(9-14(12)23-15(24)5-6-16(23)25)8-13-17-11(2-1-7-20-17)18(26)22-21-13/h3-6,9,20,24-25H,1-2,7-8H2,(H,22,26)
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1.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300009
PNG
(2-(4-(5-Oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)pheny...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C16H11N5O3/c17-13(22)10-2-1-3-11-12(10)19-14(18-11)8-4-6-9(7-5-8)15-20-21-16(23)24-15/h1-7H,(H2,17,22)(H,18,19)(H,21,23)
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1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387931
PNG
(CHEMBL2058912 | US9283222, 708)
Show SMILES NC1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
Show InChI InChI=1S/C20H24FN5O2/c21-16-4-3-12(10-15(16)20(28)26-8-5-13(22)6-9-26)11-17-18-14(2-1-7-23-18)19(27)25-24-17/h3-4,10,13,23H,1-2,5-9,11,22H2,(H,25,27)
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1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300021
PNG
(2-(4-(Thiazol-4-yl)phenyl)-1H-benzo[d]imidazole-4-...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cscn1
Show InChI InChI=1S/C17H12N4OS/c18-16(22)12-2-1-3-13-15(12)21-17(20-13)11-6-4-10(5-7-11)14-8-23-9-19-14/h1-9H,(H2,18,22)(H,20,21)
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1.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387930
PNG
(CHEMBL2058911 | US9283222, 617)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCNCC1
Show InChI InChI=1S/C19H22FN5O2/c20-15-4-3-12(10-14(15)19(27)25-8-6-21-7-9-25)11-16-17-13(2-1-5-22-17)18(26)24-23-16/h3-4,10,21-22H,1-2,5-9,11H2,(H,24,26)
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1.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300016
PNG
(2-(4-(Pyridin-2-yl)phenyl)-1H-benzo[d]imidazole-4-...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C19H14N4O/c20-18(24)14-4-3-6-16-17(14)23-19(22-16)13-9-7-12(8-10-13)15-5-1-2-11-21-15/h1-11H,(H2,20,24)(H,22,23)
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1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300017
PNG
(2-(biphenyl-4-yl)-1H-benzo[d]imidazole-4-carboxami...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O/c21-19(24)16-7-4-8-17-18(16)23-20(22-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-12H,(H2,21,24)(H,22,23)
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2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300023
PNG
(2-(4-(2-Aminothiazol-4-yl)phenyl)-1H-benzo[d]imida...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1csc(N)n1
Show InChI InChI=1S/C17H13N5OS/c18-15(23)11-2-1-3-12-14(11)22-16(20-12)10-6-4-9(5-7-10)13-8-24-17(19)21-13/h1-8H,(H2,18,23)(H2,19,21)(H,20,22)
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2.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300020
PNG
(2-(4-(1H-Imidazol-2-yl)phenyl)-1H-benzo[d]imidazol...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ncc[nH]1
Show InChI InChI=1S/C17H13N5O/c18-15(23)12-2-1-3-13-14(12)22-17(21-13)11-6-4-10(5-7-11)16-19-8-9-20-16/h1-9H,(H2,18,23)(H,19,20)(H,21,22)
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2.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300022
PNG
(2-(4-(2-Methyloxazol-4-yl)phenyl)-1H-benzo[d]imida...)
Show SMILES Cc1nc(co1)-c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C18H14N4O2/c1-10-20-15(9-24-10)11-5-7-12(8-6-11)18-21-14-4-2-3-13(17(19)23)16(14)22-18/h2-9H,1H3,(H2,19,23)(H,21,22)
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2.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387934
PNG
(CHEMBL2058915 | US9283222, 564)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C24H30FN5O2/c25-20-8-7-16(15-21-22-18(6-3-9-26-22)23(31)28-27-21)14-19(20)24(32)30-12-10-29(11-13-30)17-4-1-2-5-17/h7-8,14,17,26H,1-6,9-13,15H2,(H,28,31)
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2.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300005
PNG
(2-(4-(Imidazo[1,2-a]pyridin-2-yl)phenyl)-1H-benzo[...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cn2ccccc2n1
Show InChI InChI=1S/C21H15N5O/c22-20(27)15-4-3-5-16-19(15)25-21(24-16)14-9-7-13(8-10-14)17-12-26-11-2-1-6-18(26)23-17/h1-12H,(H2,22,27)(H,24,25)
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2.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387918
PNG
(CHEMBL2058680 | US9283222, 459)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1N1CCC1=O
Show InChI InChI=1S/C17H17FN4O2/c18-12-4-3-10(9-14(12)22-7-5-15(22)23)8-13-16-11(2-1-6-19-16)17(24)21-20-13/h3-4,9,19H,1-2,5-8H2,(H,21,24)
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300014
PNG
(2-(4-(Pyridin-4-yl)phenyl)-1H-benzimidazole-4-carb...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C19H14N4O/c20-18(24)15-2-1-3-16-17(15)23-19(22-16)14-6-4-12(5-7-14)13-8-10-21-11-9-13/h1-11H,(H2,20,24)(H,22,23)
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3.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387929
PNG
(CHEMBL2058693 | US9283222, 563)
Show SMILES CN1CCN(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4CCCNc34)ccc2F)CC1
Show InChI InChI=1S/C22H29FN6O2/c1-28-9-11-29(12-10-28)8-7-25-21(30)17-13-15(4-5-18(17)23)14-19-20-16(3-2-6-24-20)22(31)27-26-19/h4-5,13,24H,2-3,6-12,14H2,1H3,(H,25,30)(H,27,31)
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3.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300011
PNG
(2-(4-(5-Thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)ph...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1nc(=S)o[nH]1
Show InChI InChI=1S/C16H11N5O2S/c17-13(22)10-2-1-3-11-12(10)19-14(18-11)8-4-6-9(7-5-8)15-20-16(24)23-21-15/h1-7H,(H2,17,22)(H,18,19)(H,20,21,24)
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3.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300007
PNG
(2-(4-(3-Methyl-1,2,4-oxadiazol-5-yl)phenyl)-1H-ben...)
Show SMILES Cc1noc(n1)-c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C17H13N5O2/c1-9-19-17(24-22-9)11-7-5-10(6-8-11)16-20-13-4-2-3-12(15(18)23)14(13)21-16/h2-8H,1H3,(H2,18,23)(H,20,21)
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387923
PNG
(CHEMBL2058686 | US9283222, 477)
Show SMILES CC(=O)CCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
Show InChI InChI=1S/C20H23FN4O3/c1-12(26)4-2-6-18(27)23-16-10-13(7-8-15(16)21)11-17-19-14(5-3-9-22-19)20(28)25-24-17/h7-8,10,22H,2-6,9,11H2,1H3,(H,23,27)(H,25,28)
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300013
PNG
(2-(4-(1-Methyl-1H-pyrazol-3-yl)phenyl)-1H-benzo[d]...)
Show SMILES Cn1ccc(n1)-c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C18H15N5O/c1-23-10-9-14(22-23)11-5-7-12(8-6-11)18-20-15-4-2-3-13(17(19)24)16(15)21-18/h2-10H,1H3,(H2,19,24)(H,20,21)
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4.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27135
PNG
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Show SMILES C[C@@]1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1
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5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300010
PNG
(2-(4-(5-Oxo-4,5-dihydro-1,2,4-thiadiazol-3-yl)phen...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1nc(=O)s[nH]1
Show InChI InChI=1S/C16H11N5O2S/c17-13(22)10-2-1-3-11-12(10)19-14(18-11)8-4-6-9(7-5-8)15-20-16(23)24-21-15/h1-7H,(H2,17,22)(H,18,19)(H,20,21,23)
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5.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387933
PNG
(CHEMBL2058914 | US9283222, 516)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
Show InChI InChI=1S/C20H24FN5O2/c1-25-7-9-26(10-8-25)20(28)15-11-13(4-5-16(15)21)12-17-18-14(3-2-6-22-18)19(27)24-23-17/h4-5,11,22H,2-3,6-10,12H2,1H3,(H,24,27)
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6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387915
PNG
(CHEMBL2058679 | US9283222, 464)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1N1CCCC1=O
Show InChI InChI=1S/C18H19FN4O2/c19-13-6-5-11(10-15(13)23-8-2-4-16(23)24)9-14-17-12(3-1-7-20-17)18(25)22-21-14/h5-6,10,20H,1-4,7-9H2,(H,22,25)
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6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387947
PNG
(CHEMBL2058690 | US9283222, 470)
Show SMILES CCNC(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
Show InChI InChI=1S/C17H19FN4O2/c1-2-19-16(23)12-8-10(5-6-13(12)18)9-14-15-11(4-3-7-20-15)17(24)22-21-14/h5-6,8,20H,2-4,7,9H2,1H3,(H,19,23)(H,22,24)
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6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300006
PNG
(2-(4-(7-(Trifluoromethyl)imidazo[1,2-a]pyridin-2-y...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cn2ccc(cc2n1)C(F)(F)F
Show InChI InChI=1S/C22H14F3N5O/c23-22(24,25)14-8-9-30-11-17(27-18(30)10-14)12-4-6-13(7-5-12)21-28-16-3-1-2-15(20(26)31)19(16)29-21/h1-11H,(H2,26,31)(H,28,29)
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6.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387932
PNG
(CHEMBL2058913 | US9283222, 638)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCNC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H26FN5O2/c26-20-9-8-16(14-21-23-18(7-4-10-28-23)24(32)30-29-21)13-19(20)25(33)31-12-11-27-15-22(31)17-5-2-1-3-6-17/h1-3,5-6,8-9,13,22,27-28H,4,7,10-12,14-15H2,(H,30,32)/t22-/m0/s1
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7n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27119
PNG
(2-(1-propylpiperidin-4-yl)-1H-1,3-benzodiazole-4-c...)
Show SMILES CCCN1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C16H22N4O/c1-2-8-20-9-6-11(7-10-20)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-5,11H,2,6-10H2,1H3,(H2,17,21)(H,18,19)
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8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387920
PNG
(CHEMBL2058683)
Show SMILES Cc1[nH]c(=O)n(c1O)-c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
Show InChI InChI=1S/C18H18FN5O3/c1-9-17(26)24(18(27)21-9)14-8-10(4-5-12(14)19)7-13-15-11(3-2-6-20-15)16(25)23-22-13/h4-5,8,20,26H,2-3,6-7H2,1H3,(H,21,27)(H,23,25)
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9n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387928
PNG
(CHEMBL2058692 | US9283222, 472)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)NCCN1CCCC1
Show InChI InChI=1S/C21H26FN5O2/c22-17-6-5-14(12-16(17)20(28)24-8-11-27-9-1-2-10-27)13-18-19-15(4-3-7-23-19)21(29)26-25-18/h5-6,12,23H,1-4,7-11,13H2,(H,24,28)(H,26,29)
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9n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300012
PNG
(2-(4-(Isoxazol-5-yl)phenyl)-1H-benzo[d]imidazole-4...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccno1
Show InChI InChI=1S/C17H12N4O2/c18-16(22)12-2-1-3-13-15(12)21-17(20-13)11-6-4-10(5-7-11)14-8-9-19-23-14/h1-9H,(H2,18,22)(H,20,21)
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10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
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