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24 similar compounds to monomer 50251658

Compile data set for download or QSAR
Wt: 216.2
BDBM27092
Wt: 230.2
BDBM27146
Wt: 258.3
BDBM27102
Wt: 273.3
BDBM27131
Wt: 218.2
BDBM50251582
Wt: 216.2
BDBM50251583
Wt: 246.3
BDBM50251545
Wt: 246.3
BDBM50251546
Wt: 258.3
BDBM50251547
Wt: 272.3
BDBM50251548
Wt: 286.3
BDBM50251549
Wt: 308.3
BDBM50251551
Wt: 286.3
BDBM50251695
Wt: 204.2
BDBM50251519
Wt: 286.3
BDBM50251622
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 27092,27146,27102,27131,50251582,50251583,50251545,50251546,50251547,50251548,50251549,50251551,50251695,50251519,50251622   
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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50251622
PNG
(2-(2-(cyclopentylamino)propan-2-yl)-1H-benzo[d]imi...)
Show SMILES CC(C)(NC1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C16H22N4O/c1-16(2,20-10-6-3-4-7-10)15-18-12-9-5-8-11(14(17)21)13(12)19-15/h5,8-10,20H,3-4,6-7H2,1-2H3,(H2,17,21)(H,18,19)
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9n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50251546
PNG
(2-(1-(isopropylamino)ethyl)-1H-benzo[d]imidazole-4...)
Show SMILES CC(C)NC(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C13H18N4O/c1-7(2)15-8(3)13-16-10-6-4-5-9(12(14)18)11(10)17-13/h4-8,15H,1-3H3,(H2,14,18)(H,16,17)
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12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM27146
PNG
(2-(2-methylazetidin-2-yl)-1H-1,3-benzodiazole-4-ca...)
Show SMILES CC1(CCN1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C12H14N4O/c1-12(5-6-14-12)11-15-8-4-2-3-7(10(13)17)9(8)16-11/h2-4,14H,5-6H2,1H3,(H2,13,17)(H,15,16)
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13 -10.6n/an/an/an/an/a8.022



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Assay Description
PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...


J Med Chem 52: 514-23 (2009)


Article DOI: 10.1021/jm801171j
BindingDB Entry DOI: 10.7270/Q2DN43CK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50251695
PNG
(2-(2-(piperidin-1-yl)propan-2-yl)-1H-benzo[d]imida...)
Show SMILES CC(C)(N1CCCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C16H22N4O/c1-16(2,20-9-4-3-5-10-20)15-18-12-8-6-7-11(14(17)21)13(12)19-15/h6-8H,3-5,9-10H2,1-2H3,(H2,17,21)(H,18,19)
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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50251582
PNG
(2-(2-aminopropan-2-yl)-1H-benzo[d]imidazole-4-carb...)
Show SMILES CC(C)(N)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C11H14N4O/c1-11(2,13)10-14-7-5-3-4-6(9(12)16)8(7)15-10/h3-5H,13H2,1-2H3,(H2,12,16)(H,14,15)
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19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50251547
PNG
(2-(1-(cyclopropylmethylamino)ethyl)-1H-benzo[d]imi...)
Show SMILES CC(NCC1CC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C14H18N4O/c1-8(16-7-9-5-6-9)14-17-11-4-2-3-10(13(15)19)12(11)18-14/h2-4,8-9,16H,5-7H2,1H3,(H2,15,19)(H,17,18)
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24n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50251583
PNG
(2-(1-aminocyclopropyl)-1H-benzo[d]imidazole-4-carb...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)C1(N)CC1
Show InChI InChI=1S/C11H12N4O/c12-9(16)6-2-1-3-7-8(6)15-10(14-7)11(13)4-5-11/h1-3H,4-5,13H2,(H2,12,16)(H,14,15)
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25n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50251548
PNG
(2-(1-(cyclopentylamino)ethyl)-1H-benzo[d]imidazole...)
Show SMILES CC(NC1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C15H20N4O/c1-9(17-10-5-2-3-6-10)15-18-12-8-4-7-11(14(16)20)13(12)19-15/h4,7-10,17H,2-3,5-6H2,1H3,(H2,16,20)(H,18,19)
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33n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM27092
PNG
(2-(azetidin-2-yl)-1H-1,3-benzodiazole-4-carboxamid...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCN1
Show InChI InChI=1S/C11H12N4O/c12-10(16)6-2-1-3-7-9(6)15-11(14-7)8-4-5-13-8/h1-3,8,13H,4-5H2,(H2,12,16)(H,14,15)
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34 -10.1n/an/an/an/an/a8.022



Abbott Laboratories



Assay Description
PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...


Bioorg Med Chem 16: 6965-75 (2008)


Article DOI: 10.1016/j.bmc.2008.05.044
BindingDB Entry DOI: 10.7270/Q2JD4V3X
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50251551
PNG
(2-(1-(phenethylamino)ethyl)-1H-benzo[d]imidazole-4...)
Show SMILES CC(NCCc1ccccc1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C18H20N4O/c1-12(20-11-10-13-6-3-2-4-7-13)18-21-15-9-5-8-14(17(19)23)16(15)22-18/h2-9,12,20H,10-11H2,1H3,(H2,19,23)(H,21,22)
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35n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM27131
PNG
(2-(1,4-dimethylpiperazin-2-yl)-1H-1,3-benzodiazole...)
Show SMILES CN1CCN(C)C(C1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C14H19N5O/c1-18-6-7-19(2)11(8-18)14-16-10-5-3-4-9(13(15)20)12(10)17-14/h3-5,11H,6-8H2,1-2H3,(H2,15,20)(H,16,17)
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35n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...


Bioorg Med Chem 16: 6965-75 (2008)


Article DOI: 10.1016/j.bmc.2008.05.044
BindingDB Entry DOI: 10.7270/Q2JD4V3X
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50251545
PNG
(2-(1-(propylamino)ethyl)-1H-benzo[d]imidazole-4-ca...)
Show SMILES CCCNC(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C13H18N4O/c1-3-7-15-8(2)13-16-10-6-4-5-9(12(14)18)11(10)17-13/h4-6,8,15H,3,7H2,1-2H3,(H2,14,18)(H,16,17)
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41n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50251519
PNG
(2-(1-aminoethyl)-1H-benzo[d]imidazole-4-carboxamid...)
Show SMILES CC(N)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C10H12N4O/c1-5(11)10-13-7-4-2-3-6(9(12)15)8(7)14-10/h2-5H,11H2,1H3,(H2,12,15)(H,13,14)
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50n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50251549
PNG
(2-(1-(cyclohexylamino)ethyl)-1H-benzo[d]imidazole-...)
Show SMILES CC(NC1CCCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C16H22N4O/c1-10(18-11-6-3-2-4-7-11)16-19-13-9-5-8-12(15(17)21)14(13)20-16/h5,8-11,18H,2-4,6-7H2,1H3,(H2,17,21)(H,19,20)
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53n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM27102
PNG
(2-[1-(propan-2-yl)azetidin-2-yl]-1H-1,3-benzodiazo...)
Show SMILES CC(C)N1CCC1c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C14H18N4O/c1-8(2)18-7-6-11(18)14-16-10-5-3-4-9(13(15)19)12(10)17-14/h3-5,8,11H,6-7H2,1-2H3,(H2,15,19)(H,16,17)
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110 -9.39n/an/an/an/an/a8.022



Abbott Laboratories



Assay Description
PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...


Bioorg Med Chem 16: 6965-75 (2008)


Article DOI: 10.1016/j.bmc.2008.05.044
BindingDB Entry DOI: 10.7270/Q2JD4V3X
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50251695
PNG
(2-(2-(piperidin-1-yl)propan-2-yl)-1H-benzo[d]imida...)
Show SMILES CC(C)(N1CCCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C16H22N4O/c1-16(2,20-9-4-3-5-10-20)15-18-12-8-6-7-11(14(17)21)13(12)19-15/h6-8H,3-5,9-10H2,1-2H3,(H2,17,21)(H,18,19)
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n/an/an/an/a 3.10n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in cell based assay


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50251622
PNG
(2-(2-(cyclopentylamino)propan-2-yl)-1H-benzo[d]imi...)
Show SMILES CC(C)(NC1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C16H22N4O/c1-16(2,20-10-6-3-4-7-10)15-18-12-9-5-8-11(14(17)21)13(12)19-15/h5,8-10,20H,3-4,6-7H2,1-2H3,(H2,17,21)(H,18,19)
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n/an/an/an/a 4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in cell based assay


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair