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14 molecules are shown

Compile data set for download or QSAR
Wt: 244.2
BDBM27100
Wt: 272.3
BDBM27145
Wt: 258.3
BDBM27101
Wt: 300.3
BDBM27162
Wt: 340.4
BDBM27163
Wt: 258.3
BDBM27118
Wt: 286.3
BDBM27120
Wt: 312.4
BDBM27121
Wt: 300.3
BDBM27123
Wt: 326.4
BDBM27124
Wt: 258.3
BDBM27161
Wt: 286.3
BDBM27126
Wt: 343.4
BDBM27129
Wt: 300.3
BDBM50251580

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 27100,27145,27101,27162,27163,27118,27120,27121,27123,27124,27161,27126,27129,50251580   
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))
BDBM27145
PNG
(2-(4-methylazepan-4-yl)-1H-1,3-benzodiazole-4-carb...)
Show SMILES CC1(CCCNCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C15H20N4O/c1-15(6-3-8-17-9-7-15)14-18-11-5-2-4-10(13(16)20)12(11)19-14/h2,4-5,17H,3,6-9H2,1H3,(H2,16,20)(H,18,19)
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3 -11.5n/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))
BDBM27161
PNG
(2-(4-methylpiperidin-4-yl)-1H-1,3-benzodiazole-4-c...)
Show SMILES CC1(CCNCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C14H18N4O/c1-14(5-7-16-8-6-14)13-17-10-4-2-3-9(12(15)19)11(10)18-13/h2-4,16H,5-8H2,1H3,(H2,15,19)(H,17,18)
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4n/an/an/an/an/an/an/an/a



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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))
BDBM27124
PNG
(2-(1-cyclopentylazepan-4-yl)-1H-1,3-benzodiazole-4...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCCN(CC1)C1CCCC1
Show InChI InChI=1S/C19H26N4O/c20-18(24)15-8-3-9-16-17(15)22-19(21-16)13-5-4-11-23(12-10-13)14-6-1-2-7-14/h3,8-9,13-14H,1-2,4-7,10-12H2,(H2,20,24)(H,21,22)
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4n/an/an/an/an/an/an/an/a



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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...


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))
BDBM27101
PNG
(2-(azepan-4-yl)-1H-1,3-benzodiazole-4-carboxamide ...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCCNCC1
Show InChI InChI=1S/C14H18N4O/c15-13(19)10-4-1-5-11-12(10)18-14(17-11)9-3-2-7-16-8-6-9/h1,4-5,9,16H,2-3,6-8H2,(H2,15,19)(H,17,18)
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5 -11.2n/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...


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))
BDBM27100
PNG
(2-(piperidin-4-yl)-1H-1,3-benzodiazole-4-carboxami...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCNCC1
Show InChI InChI=1S/C13H16N4O/c14-12(18)9-2-1-3-10-11(9)17-13(16-10)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2,(H2,14,18)(H,16,17)
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5 -11.2n/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...


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))
BDBM27123
PNG
(2-[1-(propan-2-yl)azepan-4-yl]-1H-1,3-benzodiazole...)
Show SMILES CC(C)N1CCCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C17H24N4O/c1-11(2)21-9-4-5-12(8-10-21)17-19-14-7-3-6-13(16(18)22)15(14)20-17/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H2,18,22)(H,19,20)
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5n/an/an/an/an/an/an/an/a



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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...


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))
BDBM27101
PNG
(2-(azepan-4-yl)-1H-1,3-benzodiazole-4-carboxamide ...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCCNCC1
Show InChI InChI=1S/C14H18N4O/c15-13(19)10-4-1-5-11-12(10)18-14(17-11)9-3-2-7-16-8-6-9/h1,4-5,9,16H,2-3,6-8H2,(H2,15,19)(H,17,18)
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5 -11.2n/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))
BDBM27121
PNG
(2-(1-cyclopentylpiperidin-4-yl)-1H-1,3-benzodiazol...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C18H24N4O/c19-17(23)14-6-3-7-15-16(14)21-18(20-15)12-8-10-22(11-9-12)13-4-1-2-5-13/h3,6-7,12-13H,1-2,4-5,8-11H2,(H2,19,23)(H,20,21)
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6n/an/an/an/an/an/an/an/a



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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...


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))
BDBM27120
PNG
(2-[1-(propan-2-yl)piperidin-4-yl]-1H-1,3-benzodiaz...)
Show SMILES CC(C)N1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C16H22N4O/c1-10(2)20-8-6-11(7-9-20)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-5,10-11H,6-9H2,1-2H3,(H2,17,21)(H,18,19)
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7n/an/an/an/an/an/an/an/a



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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...


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))
BDBM27163
PNG
(2-(1-cyclopentyl-4-methylazepan-4-yl)-1H-1,3-benzo...)
Show SMILES CC1(CCCN(CC1)C1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C20H28N4O/c1-20(10-5-12-24(13-11-20)14-6-2-3-7-14)19-22-16-9-4-8-15(18(21)25)17(16)23-19/h4,8-9,14H,2-3,5-7,10-13H2,1H3,(H2,21,25)(H,22,23)
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7n/an/an/an/an/an/an/an/a



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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))
BDBM27162
PNG
(2-[4-methyl-1-(propan-2-yl)piperidin-4-yl]-1H-1,3-...)
Show SMILES CC(C)N1CCC(C)(CC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C17H24N4O/c1-11(2)21-9-7-17(3,8-10-21)16-19-13-6-4-5-12(15(18)22)14(13)20-16/h4-6,11H,7-10H2,1-3H3,(H2,18,22)(H,19,20)
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8n/an/an/an/an/an/an/an/a



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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))
BDBM27118
PNG
(2-(1-methylpiperidin-4-yl)-1H-1,3-benzodiazole-4-c...)
Show SMILES CN1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C14H18N4O/c1-18-7-5-9(6-8-18)14-16-11-4-2-3-10(13(15)19)12(11)17-14/h2-4,9H,5-8H2,1H3,(H2,15,19)(H,16,17)
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19 -10.4n/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...


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))
BDBM27129
PNG
(2-{1-[2-(diethylamino)ethyl]piperidin-4-yl}-1H-1,3...)
Show SMILES CCN(CC)CCN1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C19H29N5O/c1-3-23(4-2)12-13-24-10-8-14(9-11-24)19-21-16-7-5-6-15(18(20)25)17(16)22-19/h5-7,14H,3-4,8-13H2,1-2H3,(H2,20,25)(H,21,22)
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31n/an/an/an/an/an/an/an/a



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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...


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))
BDBM50251580
PNG
(2-(4-(cyclopentylamino)butan-2-yl)-1H-benzo[d]imid...)
Show SMILES CC(CCNC1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C17H24N4O/c1-11(9-10-19-12-5-2-3-6-12)17-20-14-8-4-7-13(16(18)22)15(14)21-17/h4,7-8,11-12,19H,2-3,5-6,9-10H2,1H3,(H2,18,22)(H,20,21)
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45n/an/an/an/an/an/an/an/a



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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))
BDBM27126
PNG
(2-(1-acetylpiperidin-4-yl)-1H-1,3-benzodiazole-4-c...)
Show SMILES CC(=O)N1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C15H18N4O2/c1-9(20)19-7-5-10(6-8-19)15-17-12-4-2-3-11(14(16)21)13(12)18-15/h2-4,10H,5-8H2,1H3,(H2,16,21)(H,17,18)
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59n/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