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15 similar compounds to monomer 50315800

Compile data set for download or QSAR
Wt: 334.4
BDBM50145219
Wt: 320.3
BDBM50145225
Wt: 324.3
BDBM50315779
Purchase
Wt: 306.3
BDBM50315780
Wt: 320.3
BDBM50315781
Wt: 334.4
BDBM50315784
Wt: 334.4
BDBM50315785
Wt: 334.4
BDBM50315786
Wt: 362.4
BDBM50315787
Wt: 362.4
BDBM50315788
Wt: 362.4
BDBM50315789
Wt: 324.3
BDBM50315790
Wt: 340.8
BDBM50315791
Wt: 324.3
BDBM50315796
Wt: 320.3
BDBM50315802

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 50145219,50145225,50315779,50315780,50315781,50315784,50315785,50315786,50315787,50315788,50315789,50315790,50315791,50315796,50315802   
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))
BDBM50315779
PNG
((S)-2-(2-Fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benz...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)[C@@H]1CCCN1
Show InChI InChI=1S/C18H17FN4O/c19-13-9-10(14-5-2-8-21-14)6-7-11(13)18-22-15-4-1-3-12(17(20)24)16(15)23-18/h1,3-4,6-7,9,14,21H,2,5,8H2,(H2,20,24)(H,22,23)/t14-/m0/s1
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1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50315779
PNG
((S)-2-(2-Fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benz...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)[C@@H]1CCCN1
Show InChI InChI=1S/C18H17FN4O/c19-13-9-10(14-5-2-8-21-14)6-7-11(13)18-22-15-4-1-3-12(17(20)24)16(15)23-18/h1,3-4,6-7,9,14,21H,2,5,8H2,(H2,20,24)(H,22,23)/t14-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP2 by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315790
PNG
(6-Fluoro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidaz...)
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)-c1ccc(cc1)C1CCCN1
Show InChI InChI=1S/C18H17FN4O/c19-12-8-13(17(20)24)16-15(9-12)22-18(23-16)11-5-3-10(4-6-11)14-2-1-7-21-14/h3-6,8-9,14,21H,1-2,7H2,(H2,20,24)(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 using [3H]NAD+ by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50315780
PNG
(2-(4-Pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-car...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C1CCCN1
Show InChI InChI=1S/C18H18N4O/c19-17(23)13-3-1-4-15-16(13)22-18(21-15)12-8-6-11(7-9-12)14-5-2-10-20-14/h1,3-4,6-9,14,20H,2,5,10H2,(H2,19,23)(H,21,22)
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2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP2 by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315779
PNG
((S)-2-(2-Fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benz...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)[C@@H]1CCCN1
Show InChI InChI=1S/C18H17FN4O/c19-13-9-10(14-5-2-8-21-14)6-7-11(13)18-22-15-4-1-3-12(17(20)24)16(15)23-18/h1,3-4,6-7,9,14,21H,2,5,8H2,(H2,20,24)(H,22,23)/t14-/m0/s1
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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+ by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315780
PNG
(2-(4-Pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-car...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C1CCCN1
Show InChI InChI=1S/C18H18N4O/c19-17(23)13-3-1-4-15-16(13)22-18(21-15)12-8-6-11(7-9-12)14-5-2-10-20-14/h1,3-4,6-9,14,20H,2,5,10H2,(H2,19,23)(H,21,22)
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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+ by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50315802
PNG
(2-(4-Piperidin-2-ylphenyl)-1H-benzimidazole-4-carb...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C1CCCCN1
Show InChI InChI=1S/C19H20N4O/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/h3-4,6-10,15,21H,1-2,5,11H2,(H2,20,24)(H,22,23)
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP2 by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50315779
PNG
((S)-2-(2-Fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benz...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)[C@@H]1CCCN1
Show InChI InChI=1S/C18H17FN4O/c19-13-9-10(14-5-2-8-21-14)6-7-11(13)18-22-15-4-1-3-12(17(20)24)16(15)23-18/h1,3-4,6-7,9,14,21H,2,5,8H2,(H2,20,24)(H,22,23)/t14-/m0/s1
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP2 by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315785
PNG
(2-(4-(1-Methyl-piperidin-3-yl)phenyl)-1H-benzimida...)
Show SMILES CN1CCCC(C1)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C20H22N4O/c1-24-11-3-4-15(12-24)13-7-9-14(10-8-13)20-22-17-6-2-5-16(19(21)25)18(17)23-20/h2,5-10,15H,3-4,11-12H2,1H3,(H2,21,25)(H,22,23)
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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+ by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315802
PNG
(2-(4-Piperidin-2-ylphenyl)-1H-benzimidazole-4-carb...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C1CCCCN1
Show InChI InChI=1S/C19H20N4O/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/h3-4,6-10,15,21H,1-2,5,11H2,(H2,20,24)(H,22,23)
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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+ by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315796
PNG
((R)-2-(2-Fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benz...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)[C@H]1CCCN1
Show InChI InChI=1S/C18H17FN4O/c19-13-9-10(14-5-2-8-21-14)6-7-11(13)18-22-15-4-1-3-12(17(20)24)16(15)23-18/h1,3-4,6-7,9,14,21H,2,5,8H2,(H2,20,24)(H,22,23)/t14-/m1/s1
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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+ by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315781
PNG
(2-(4-(1-Methylpyrrolidin-2-yl)phenyl)-1H-benzimida...)
Show SMILES CN1CCCC1c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C19H20N4O/c1-23-11-3-6-16(23)12-7-9-13(10-8-12)19-21-15-5-2-4-14(18(20)24)17(15)22-19/h2,4-5,7-10,16H,3,6,11H2,1H3,(H2,20,24)(H,21,22)
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5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145225
PNG
(2-(4-Pyrrolidin-1-ylmethyl-phenyl)-1H-benzoimidazo...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C19H20N4O/c20-18(24)15-4-3-5-16-17(15)22-19(21-16)14-8-6-13(7-9-14)12-23-10-1-2-11-23/h3-9H,1-2,10-12H2,(H2,20,24)(H,21,22)
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5.90n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)


Bioorg Med Chem Lett 14: 2433-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.017
BindingDB Entry DOI: 10.7270/Q2542N1M
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315784
PNG
(2-(4-(1-Methylpiperidin-2-yl)phenyl)-1H-benzimidaz...)
Show SMILES CN1CCCCC1c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C20H22N4O/c1-24-12-3-2-7-17(24)13-8-10-14(11-9-13)20-22-16-6-4-5-15(19(21)25)18(16)23-20/h4-6,8-11,17H,2-3,7,12H2,1H3,(H2,21,25)(H,22,23)
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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+ by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315789
PNG
(2-(4-(1-Isopropyl-piperidin-4-yl)phenyl)-1H-benzim...)
Show SMILES CC(C)N1CCC(CC1)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C22H26N4O/c1-14(2)26-12-10-16(11-13-26)15-6-8-17(9-7-15)22-24-19-5-3-4-18(21(23)27)20(19)25-22/h3-9,14,16H,10-13H2,1-2H3,(H2,23,27)(H,24,25)
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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+ by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145219
PNG
(2-(4-Piperidin-1-ylmethyl-phenyl)-1H-benzoimidazol...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C20H22N4O/c21-19(25)16-5-4-6-17-18(16)23-20(22-17)15-9-7-14(8-10-15)13-24-11-2-1-3-12-24/h4-10H,1-3,11-13H2,(H2,21,25)(H,22,23)
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7.20n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)


Bioorg Med Chem Lett 14: 2433-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.017
BindingDB Entry DOI: 10.7270/Q2542N1M
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315786
PNG
(2-(4-(1-Methyl-piperidin-4-yl)phenyl)-1H-benzimida...)
Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C20H22N4O/c1-24-11-9-14(10-12-24)13-5-7-15(8-6-13)20-22-17-4-2-3-16(19(21)25)18(17)23-20/h2-8,14H,9-12H2,1H3,(H2,21,25)(H,22,23)
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8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315791
PNG
(6-Chloro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidaz...)
Show SMILES NC(=O)c1cc(Cl)cc2[nH]c(nc12)-c1ccc(cc1)C1CCCN1
Show InChI InChI=1S/C18H17ClN4O/c19-12-8-13(17(20)24)16-15(9-12)22-18(23-16)11-5-3-10(4-6-11)14-2-1-7-21-14/h3-6,8-9,14,21H,1-2,7H2,(H2,20,24)(H,22,23)
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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+ by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315787
PNG
(2-(4-(1-Isopropyl-piperidin-2-yl)phenyl)-1H-benzim...)
Show SMILES CC(C)N1CCCCC1c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C22H26N4O/c1-14(2)26-13-4-3-8-19(26)15-9-11-16(12-10-15)22-24-18-7-5-6-17(21(23)27)20(18)25-22/h5-7,9-12,14,19H,3-4,8,13H2,1-2H3,(H2,23,27)(H,24,25)
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10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50315785
PNG
(2-(4-(1-Methyl-piperidin-3-yl)phenyl)-1H-benzimida...)
Show SMILES CN1CCCC(C1)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C20H22N4O/c1-24-11-3-4-15(12-24)13-7-9-14(10-8-13)20-22-17-6-2-5-16(19(21)25)18(17)23-20/h2,5-10,15H,3-4,11-12H2,1H3,(H2,21,25)(H,22,23)
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10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP2 by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50315786
PNG
(2-(4-(1-Methyl-piperidin-4-yl)phenyl)-1H-benzimida...)
Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C20H22N4O/c1-24-11-9-14(10-12-24)13-5-7-15(8-6-13)20-22-17-4-2-3-16(19(21)25)18(17)23-20/h2-8,14H,9-12H2,1H3,(H2,21,25)(H,22,23)
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12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP2 by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315788
PNG
(2-(4-(1-Isopropyl-piperidin-3-yl)phenyl)-1H-benzim...)
Show SMILES CC(C)N1CCCC(C1)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C22H26N4O/c1-14(2)26-12-4-5-17(13-26)15-8-10-16(11-9-15)22-24-19-7-3-6-18(21(23)27)20(19)25-22/h3,6-11,14,17H,4-5,12-13H2,1-2H3,(H2,23,27)(H,24,25)
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12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50315784
PNG
(2-(4-(1-Methylpiperidin-2-yl)phenyl)-1H-benzimidaz...)
Show SMILES CN1CCCCC1c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C20H22N4O/c1-24-12-3-2-7-17(24)13-8-10-14(11-9-13)20-22-16-6-4-5-15(19(21)25)18(16)23-20/h4-6,8-11,17H,2-3,7,12H2,1H3,(H2,21,25)(H,22,23)
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18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP2 by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50315781
PNG
(2-(4-(1-Methylpyrrolidin-2-yl)phenyl)-1H-benzimida...)
Show SMILES CN1CCCC1c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C19H20N4O/c1-23-11-3-6-16(23)12-7-9-13(10-8-12)19-21-15-5-2-4-14(18(20)24)17(15)22-19/h2,4-5,7-10,16H,3,6,11H2,1H3,(H2,20,24)(H,21,22)
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18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP2 by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50315788
PNG
(2-(4-(1-Isopropyl-piperidin-3-yl)phenyl)-1H-benzim...)
Show SMILES CC(C)N1CCCC(C1)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C22H26N4O/c1-14(2)26-12-4-5-17(13-26)15-8-10-16(11-9-15)22-24-19-7-3-6-18(21(23)27)20(19)25-22/h3,6-11,14,17H,4-5,12-13H2,1-2H3,(H2,23,27)(H,24,25)
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23n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP2 by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50315787
PNG
(2-(4-(1-Isopropyl-piperidin-2-yl)phenyl)-1H-benzim...)
Show SMILES CC(C)N1CCCCC1c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C22H26N4O/c1-14(2)26-13-4-3-8-19(26)15-9-11-16(12-10-15)22-24-18-7-5-6-17(21(23)27)20(18)25-22/h5-7,9-12,14,19H,3-4,8,13H2,1-2H3,(H2,23,27)(H,24,25)
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26n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP2 by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315781
PNG
(2-(4-(1-Methylpyrrolidin-2-yl)phenyl)-1H-benzimida...)
Show SMILES CN1CCCC1c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C19H20N4O/c1-23-11-3-6-16(23)12-7-9-13(10-8-12)19-21-15-5-2-4-14(18(20)24)17(15)22-19/h2,4-5,7-10,16H,3,6,11H2,1H3,(H2,20,24)(H,21,22)
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n/an/an/an/a 4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315780
PNG
(2-(4-Pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-car...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C1CCCN1
Show InChI InChI=1S/C18H18N4O/c19-17(23)13-3-1-4-15-16(13)22-18(21-15)12-8-6-11(7-9-12)14-5-2-10-20-14/h1,3-4,6-9,14,20H,2,5,10H2,(H2,19,23)(H,21,22)
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n/an/an/an/a 3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315802
PNG
(2-(4-Piperidin-2-ylphenyl)-1H-benzimidazole-4-carb...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C1CCCCN1
Show InChI InChI=1S/C19H20N4O/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/h3-4,6-10,15,21H,1-2,5,11H2,(H2,20,24)(H,22,23)
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n/an/an/an/a 4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315784
PNG
(2-(4-(1-Methylpiperidin-2-yl)phenyl)-1H-benzimidaz...)
Show SMILES CN1CCCCC1c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C20H22N4O/c1-24-12-3-2-7-17(24)13-8-10-14(11-9-13)20-22-16-6-4-5-15(19(21)25)18(16)23-20/h4-6,8-11,17H,2-3,7,12H2,1H3,(H2,21,25)(H,22,23)
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n/an/an/an/a 2n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315785
PNG
(2-(4-(1-Methyl-piperidin-3-yl)phenyl)-1H-benzimida...)
Show SMILES CN1CCCC(C1)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C20H22N4O/c1-24-11-3-4-15(12-24)13-7-9-14(10-8-13)20-22-17-6-2-5-16(19(21)25)18(17)23-20/h2,5-10,15H,3-4,11-12H2,1H3,(H2,21,25)(H,22,23)
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n/an/an/an/a 5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315786
PNG
(2-(4-(1-Methyl-piperidin-4-yl)phenyl)-1H-benzimida...)
Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C20H22N4O/c1-24-11-9-14(10-12-24)13-5-7-15(8-6-13)20-22-17-4-2-3-16(19(21)25)18(17)23-20/h2-8,14H,9-12H2,1H3,(H2,21,25)(H,22,23)
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n/an/an/an/a 6n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315787
PNG
(2-(4-(1-Isopropyl-piperidin-2-yl)phenyl)-1H-benzim...)
Show SMILES CC(C)N1CCCCC1c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C22H26N4O/c1-14(2)26-13-4-3-8-19(26)15-9-11-16(12-10-15)22-24-18-7-5-6-17(21(23)27)20(18)25-22/h5-7,9-12,14,19H,3-4,8,13H2,1-2H3,(H2,23,27)(H,24,25)
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n/an/an/an/a 8n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315788
PNG
(2-(4-(1-Isopropyl-piperidin-3-yl)phenyl)-1H-benzim...)
Show SMILES CC(C)N1CCCC(C1)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C22H26N4O/c1-14(2)26-12-4-5-17(13-26)15-8-10-16(11-9-15)22-24-19-7-3-6-18(21(23)27)20(19)25-22/h3,6-11,14,17H,4-5,12-13H2,1-2H3,(H2,23,27)(H,24,25)
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n/an/an/an/a 26n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315789
PNG
(2-(4-(1-Isopropyl-piperidin-4-yl)phenyl)-1H-benzim...)
Show SMILES CC(C)N1CCC(CC1)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C22H26N4O/c1-14(2)26-12-10-16(11-13-26)15-6-8-17(9-7-15)22-24-19-5-3-4-18(21(23)27)20(19)25-22/h3-9,14,16H,10-13H2,1-2H3,(H2,23,27)(H,24,25)
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n/an/an/an/a 12n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315790
PNG
(6-Fluoro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidaz...)
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)-c1ccc(cc1)C1CCCN1
Show InChI InChI=1S/C18H17FN4O/c19-12-8-13(17(20)24)16-15(9-12)22-18(23-16)11-5-3-10(4-6-11)14-2-1-7-21-14/h3-6,8-9,14,21H,1-2,7H2,(H2,20,24)(H,22,23)
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n/an/an/an/a 2n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315779
PNG
((S)-2-(2-Fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benz...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)[C@@H]1CCCN1
Show InChI InChI=1S/C18H17FN4O/c19-13-9-10(14-5-2-8-21-14)6-7-11(13)18-22-15-4-1-3-12(17(20)24)16(15)23-18/h1,3-4,6-7,9,14,21H,2,5,8H2,(H2,20,24)(H,22,23)/t14-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315791
PNG
(6-Chloro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidaz...)
Show SMILES NC(=O)c1cc(Cl)cc2[nH]c(nc12)-c1ccc(cc1)C1CCCN1
Show InChI InChI=1S/C18H17ClN4O/c19-12-8-13(17(20)24)16-15(9-12)22-18(23-16)11-5-3-10(4-6-11)14-2-1-7-21-14/h3-6,8-9,14,21H,1-2,7H2,(H2,20,24)(H,22,23)
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n/an/an/an/a 26n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315779
PNG
((S)-2-(2-Fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benz...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)[C@@H]1CCCN1
Show InChI InChI=1S/C18H17FN4O/c19-13-9-10(14-5-2-8-21-14)6-7-11(13)18-22-15-4-1-3-12(17(20)24)16(15)23-18/h1,3-4,6-7,9,14,21H,2,5,8H2,(H2,20,24)(H,22,23)/t14-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50315796
PNG
((R)-2-(2-Fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benz...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)[C@H]1CCCN1
Show InChI InChI=1S/C18H17FN4O/c19-13-9-10(14-5-2-8-21-14)6-7-11(13)18-22-15-4-1-3-12(17(20)24)16(15)23-18/h1,3-4,6-7,9,14,21H,2,5,8H2,(H2,20,24)(H,22,23)/t14-/m1/s1
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n/an/an/an/a 9n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair