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23 similar compounds to monomer 50093374

Compile data set for download or QSAR
Wt: 267.2
BDBM27684
Wt: 237.2
BDBM27091
Wt: 252.2
BDBM50093366
Wt: 271.7
BDBM50093369
Purchase
Wt: 267.2
BDBM50093371
Wt: 267.2
BDBM50093373
Wt: 253.2
BDBM50093375
Wt: 262.2
BDBM50093379
Wt: 283.2
BDBM50093384
Wt: 283.2
BDBM50093386
Wt: 281.2
BDBM50093388
Wt: 267.2
BDBM50093359
Wt: 267.2
BDBM50093360
Wt: 297.3
BDBM50093362
Wt: 327.3
BDBM50093364
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 27684,27091,50093366,50093369,50093371,50093373,50093375,50093379,50093384,50093386,50093388,50093359,50093360,50093362,50093364   
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



The 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))
BDBM50093384
PNG
(2-(3-Hydroxy-4-methoxy-phenyl)-1H-benzoimidazole-4...)
Show SMILES COc1ccc(cc1O)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C15H13N3O3/c1-21-12-6-5-8(7-11(12)19)15-17-10-4-2-3-9(14(16)20)13(10)18-15/h2-7,19H,1H3,(H2,16,20)(H,17,18)
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2n/an/an/an/an/an/an/an/a



The 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))
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



The 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))
BDBM50093362
PNG
(2-(3,4-Dimethoxy-phenyl)-1H-benzoimidazole-4-carbo...)
Show SMILES COc1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C16H15N3O3/c1-21-12-7-6-9(8-13(12)22-2)16-18-11-5-3-4-10(15(17)20)14(11)19-16/h3-8H,1-2H3,(H2,17,20)(H,18,19)
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5.40n/an/an/an/an/an/an/an/a



The 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))
BDBM50093373
PNG
(2-(3'-METHOXYPHENYL) BENZIMIDAZOLE-4-CARBOXAMIDE |...)
Show SMILES COc1cccc(c1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C15H13N3O2/c1-20-10-5-2-4-9(8-10)15-17-12-7-3-6-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
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6n/an/an/an/an/an/an/an/a



The 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
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093375
PNG
(2-(3-Hydroxy-phenyl)-1H-benzoimidazole-4-carboxyli...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1cccc(O)c1
Show InChI InChI=1S/C14H11N3O2/c15-13(19)10-5-2-6-11-12(10)17-14(16-11)8-3-1-4-9(18)7-8/h1-7,18H,(H2,15,19)(H,16,17)
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6.30n/an/an/an/an/an/an/an/a



The 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))
BDBM50093360
PNG
(2-(3-Hydroxymethyl-phenyl)-1H-benzoimidazole-4-car...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1cccc(CO)c1
Show InChI InChI=1S/C15H13N3O2/c16-14(20)11-5-2-6-12-13(11)18-15(17-12)10-4-1-3-9(7-10)8-19/h1-7,19H,8H2,(H2,16,20)(H,17,18)
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6.80n/an/an/an/an/an/an/an/a



The 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))
BDBM27684
PNG
(2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxam...)
Show SMILES COc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C15H13N3O2/c1-20-10-7-5-9(6-8-10)15-17-12-4-2-3-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
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6.80n/an/an/an/an/an/an/an/a



The 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))
BDBM50093369
PNG
(2-(2-Chloro-phenyl)-1H-benzoimidazole-4-carboxylic...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C14H10ClN3O/c15-10-6-2-1-4-8(10)14-17-11-7-3-5-9(13(16)19)12(11)18-14/h1-7H,(H2,16,19)(H,17,18)
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9.40n/an/an/an/an/an/an/an/a



The 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))
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



The 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))
BDBM50093386
PNG
(2-(4-Hydroxy-3-methoxy-phenyl)-1H-benzoimidazole-4...)
Show SMILES COc1cc(ccc1O)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C15H13N3O3/c1-21-12-7-8(5-6-11(12)19)15-17-10-4-2-3-9(14(16)20)13(10)18-15/h2-7,19H,1H3,(H2,16,20)(H,17,18)
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13n/an/an/an/an/an/an/an/a



The 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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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



The 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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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))
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))
BDBM50093371
PNG
(2-(2-Methoxy-phenyl)-1H-benzoimidazole-4-carboxyli...)
Show SMILES COc1ccccc1-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C15H13N3O2/c1-20-12-8-3-2-5-9(12)15-17-11-7-4-6-10(14(16)19)13(11)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
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126n/an/an/an/an/an/an/an/a



The 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))
BDBM50093364
PNG
(2-(3,4,5-Trimethoxy-phenyl)-1H-benzoimidazole-4-ca...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C17H17N3O4/c1-22-12-7-9(8-13(23-2)15(12)24-3)17-19-11-6-4-5-10(16(18)21)14(11)20-17/h4-8H,1-3H3,(H2,18,21)(H,19,20)
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136n/an/an/an/an/an/an/an/a



The 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))
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



The 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))
BDBM27684
PNG
(2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxam...)
Show SMILES COc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C15H13N3O2/c1-20-10-7-5-9(6-8-10)15-17-12-4-2-3-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
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n/an/a 60n/an/an/an/a8.023



Deltagen Research Laboratories



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP-1 enzyme assay was carried out in reaction mixture consisting of Escherichia coli str...


Bioorg Med Chem Lett 18: 5126-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.091
BindingDB Entry DOI: 10.7270/Q29S1PCX
More data for this
Ligand-Target Pair