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20 similar compounds to monomer 50145216

Compile data set for download or QSAR
Wt: 237.2
BDBM27091
Wt: 252.2
BDBM50093366
Wt: 262.2
BDBM50093379
Wt: 281.2
BDBM50093388
Wt: 267.2
BDBM50093359
Wt: 336.3
BDBM50145212
Wt: 354.4
BDBM50145213
Wt: 280.3
BDBM50145214
Wt: 349.4
BDBM50145215
Wt: 336.3
BDBM50145217
Wt: 334.4
BDBM50145218
Wt: 334.4
BDBM50145219
Wt: 320.3
BDBM50145220
Wt: 349.4
BDBM50145222
Wt: 294.3
BDBM50145223
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 27091,50093366,50093379,50093388,50093359,50145212,50145213,50145214,50145215,50145217,50145218,50145219,50145220,50145222,50145223   
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))
BDBM50093359
PNG
(2-(4-Hydroxymethyl-phenyl)-1H-benzoimidazole-4-car...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(CO)cc1
Show InChI InChI=1S/C15H13N3O2/c16-14(20)11-2-1-3-12-13(11)18-15(17-12)10-6-4-9(8-19)5-7-10/h1-7,19H,8H2,(H2,16,20)(H,17,18)
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1.60n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145214
PNG
(2-(4-((methylamino)methyl)phenyl)-1H-benzo[d]imida...)
Show SMILES CNCc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C16H16N4O/c1-18-9-10-5-7-11(8-6-10)16-19-13-4-2-3-12(15(17)21)14(13)20-16/h2-8,18H,9H2,1H3,(H2,17,21)(H,19,20)
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3.20n/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))
BDBM50145214
PNG
(2-(4-((methylamino)methyl)phenyl)-1H-benzo[d]imida...)
Show SMILES CNCc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C16H16N4O/c1-18-9-10-5-7-11(8-6-10)16-19-13-4-2-3-12(15(17)21)14(13)20-16/h2-8,18H,9H2,1H3,(H2,17,21)(H,19,20)
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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))
BDBM50093379
PNG
(2-(4-Cyano-phenyl)-1H-benzoimidazole-4-carboxylic ...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C15H10N4O/c16-8-9-4-6-10(7-5-9)15-18-12-3-1-2-11(14(17)20)13(12)19-15/h1-7H,(H2,17,20)(H,18,19)
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4n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145223
PNG
(2-(3-Dimethylaminomethyl-phenyl)-1H-benzoimidazole...)
Show SMILES CN(C)Cc1cccc(c1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C17H18N4O/c1-21(2)10-11-5-3-6-12(9-11)17-19-14-8-4-7-13(16(18)22)15(14)20-17/h3-9H,10H2,1-2H3,(H2,18,22)(H,19,20)
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5.60n/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))
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))
BDBM50145215
PNG
(2-[4-(4-Methyl-piperazin-1-ylmethyl)-phenyl]-1H-be...)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2nc3c(cccc3[nH]2)C(N)=O)CC1
Show InChI InChI=1S/C20H23N5O/c1-24-9-11-25(12-10-24)13-14-5-7-15(8-6-14)20-22-17-4-2-3-16(19(21)26)18(17)23-20/h2-8H,9-13H2,1H3,(H2,21,26)(H,22,23)
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8.70n/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))
BDBM50145222
PNG
(2-[3-(4-Methyl-piperazin-1-ylmethyl)-phenyl]-1H-be...)
Show SMILES CN1CCN(Cc2cccc(c2)-c2nc3c(cccc3[nH]2)C(N)=O)CC1
Show InChI InChI=1S/C20H23N5O/c1-24-8-10-25(11-9-24)13-14-4-2-5-15(12-14)20-22-17-7-3-6-16(19(21)26)18(17)23-20/h2-7,12H,8-11,13H2,1H3,(H2,21,26)(H,22,23)
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9.80n/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))
BDBM50145220
PNG
(2-(3-Pyrrolidin-1-ylmethyl-phenyl)-1H-benzoimidazo...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1cccc(CN2CCCC2)c1
Show InChI InChI=1S/C19H20N4O/c20-18(24)15-7-4-8-16-17(15)22-19(21-16)14-6-3-5-13(11-14)12-23-9-1-2-10-23/h3-8,11H,1-2,9-10,12H2,(H2,20,24)(H,21,22)
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10n/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))
BDBM50093366
PNG
(2-(4-Amino-phenyl)-1H-benzoimidazole-4-carboxylic ...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccc(N)cc1
Show InChI InChI=1S/C14H12N4O/c15-9-6-4-8(5-7-9)14-17-11-3-1-2-10(13(16)19)12(11)18-14/h1-7H,15H2,(H2,16,19)(H,17,18)
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11n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145218
PNG
(2-(3-Piperidin-1-ylmethyl-phenyl)-1H-benzoimidazol...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C20H22N4O/c21-19(25)16-8-5-9-17-18(16)23-20(22-17)15-7-4-6-14(12-15)13-24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13H2,(H2,21,25)(H,22,23)
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12n/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))
BDBM50145217
PNG
(2-(4-Morpholin-4-ylmethyl-phenyl)-1H-benzoimidazol...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C19H20N4O2/c20-18(24)15-2-1-3-16-17(15)22-19(21-16)14-6-4-13(5-7-14)12-23-8-10-25-11-9-23/h1-7H,8-12H2,(H2,20,24)(H,21,22)
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12n/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))
BDBM27091
PNG
(2-phenyl-1H-1,3-benzodiazole-4-carboxamide | CHEMB...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C14H11N3O/c15-13(18)10-7-4-8-11-12(10)17-14(16-11)9-5-2-1-3-6-9/h1-8H,(H2,15,18)(H,16,17)
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15n/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))
BDBM27091
PNG
(2-phenyl-1H-1,3-benzodiazole-4-carboxamide | CHEMB...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C14H11N3O/c15-13(18)10-7-4-8-11-12(10)17-14(16-11)9-5-2-1-3-6-9/h1-8H,(H2,15,18)(H,16,17)
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15n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27091
PNG
(2-phenyl-1H-1,3-benzodiazole-4-carboxamide | CHEMB...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C14H11N3O/c15-13(18)10-7-4-8-11-12(10)17-14(16-11)9-5-2-1-3-6-9/h1-8H,(H2,15,18)(H,16,17)
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17 -10.5n/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))
BDBM27091
PNG
(2-phenyl-1H-1,3-benzodiazole-4-carboxamide | CHEMB...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C14H11N3O/c15-13(18)10-7-4-8-11-12(10)17-14(16-11)9-5-2-1-3-6-9/h1-8H,(H2,15,18)(H,16,17)
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17n/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))
BDBM50145212
PNG
(2-(3-Morpholin-4-ylmethyl-phenyl)-1H-benzoimidazol...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C19H20N4O2/c20-18(24)15-5-2-6-16-17(15)22-19(21-16)14-4-1-3-13(11-14)12-23-7-9-25-10-8-23/h1-6,11H,7-10,12H2,(H2,20,24)(H,21,22)
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31n/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))
BDBM50145213
PNG
(2-(3-{[Bis-(2-hydroxy-ethyl)-amino]-methyl}-phenyl...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1cccc(CN(CCO)CCO)c1
Show InChI InChI=1S/C19H22N4O3/c20-18(26)15-5-2-6-16-17(15)22-19(21-16)14-4-1-3-13(11-14)12-23(7-9-24)8-10-25/h1-6,11,24-25H,7-10,12H2,(H2,20,26)(H,21,22)
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272n/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))
BDBM50093388
PNG
(4-(4-Carbamoyl-1H-benzoimidazol-2-yl)-benzoic acid...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H11N3O3/c16-13(19)10-2-1-3-11-12(10)18-14(17-11)8-4-6-9(7-5-8)15(20)21/h1-7H,(H2,16,19)(H,17,18)(H,20,21)
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290n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27091
PNG
(2-phenyl-1H-1,3-benzodiazole-4-carboxamide | CHEMB...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C14H11N3O/c15-13(18)10-7-4-8-11-12(10)17-14(16-11)9-5-2-1-3-6-9/h1-8H,(H2,15,18)(H,16,17)
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n/an/an/an/a 75n/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))
BDBM50145214
PNG
(2-(4-((methylamino)methyl)phenyl)-1H-benzo[d]imida...)
Show SMILES CNCc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C16H16N4O/c1-18-9-10-5-7-11(8-6-10)16-19-13-4-2-3-12(15(17)21)14(13)20-16/h2-8,18H,9H2,1H3,(H2,17,21)(H,19,20)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50093366
PNG
(2-(4-Amino-phenyl)-1H-benzoimidazole-4-carboxylic ...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccc(N)cc1
Show InChI InChI=1S/C14H12N4O/c15-9-6-4-8(5-7-9)14-17-11-3-1-2-10(13(16)19)12(11)18-14/h1-7H,15H2,(H2,16,19)(H,17,18)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 30n/an/an/an/an/an/a



Tsinghua University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) assessed as reduction in biotinylated poly(ADP-ribose) incorporation on to histone protein by ELISA based colori...


Eur J Med Chem 138: 1135-1146 (2017)

More data for this
Ligand-Target Pair