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32 similar compounds to monomer 27091

Compile data set for download or QSAR
Wt: 267.2
BDBM27684
Wt: 255.2
BDBM50093385
Wt: 252.2
BDBM50093366
Wt: 271.7
BDBM50093368
Wt: 271.7
BDBM50093369
Purchase
Wt: 271.7
BDBM50093372
Wt: 253.2
BDBM50093374
Purchase
Wt: 253.2
BDBM50093375
Wt: 267.2
BDBM50093378
Wt: 262.2
BDBM50093379
Wt: 305.2
BDBM50093383
Wt: 281.2
BDBM50093388
Wt: 267.2
BDBM50093359
Wt: 267.2
BDBM50093360
Wt: 280.3
BDBM50093361
Displayed 1 to 15 (of 32 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 27684,50093385,50093366,50093368,50093369,50093372,50093374,50093375,50093378,50093379,50093383,50093388,50093359,50093360,50093361   
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))
BDBM50093383
PNG
(2-(4-Trifluoromethyl-phenyl)-1H-benzoimidazole-4-c...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H10F3N3O/c16-15(17,18)9-6-4-8(5-7-9)14-20-11-3-1-2-10(13(19)22)12(11)21-14/h1-7H,(H2,19,22)(H,20,21)
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1.20n/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))
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))
BDBM50093372
PNG
(2-(4-Chloro-phenyl)-1H-benzoimidazole-4-carboxylic...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H10ClN3O/c15-9-6-4-8(5-7-9)14-17-11-3-1-2-10(13(16)19)12(11)18-14/h1-7H,(H2,16,19)(H,17,18)
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3n/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))
BDBM50093361
PNG
(2-(4-Dimethylamino-phenyl)-1H-benzoimidazole-4-car...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C16H16N4O/c1-20(2)11-8-6-10(7-9-11)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-9H,1-2H3,(H2,17,21)(H,18,19)
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5.80n/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))
BDBM50093374
PNG
(2-(4-Hydroxy-phenyl)-1H-benzoimidazole-4-carboxyli...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccc(O)cc1
Show InChI InChI=1S/C14H11N3O2/c15-13(19)10-2-1-3-11-12(10)17-14(16-11)8-4-6-9(18)7-5-8/h1-7,18H,(H2,15,19)(H,16,17)
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6n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093374
PNG
(2-(4-Hydroxy-phenyl)-1H-benzoimidazole-4-carboxyli...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccc(O)cc1
Show InChI InChI=1S/C14H11N3O2/c15-13(19)10-2-1-3-11-12(10)17-14(16-11)8-4-6-9(18)7-5-8/h1-7,18H,(H2,15,19)(H,16,17)
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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
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))
BDBM50093368
PNG
(2-(3-Chloro-phenyl)-1H-benzoimidazole-4-carboxylic...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H10ClN3O/c15-9-4-1-3-8(7-9)14-17-11-6-2-5-10(13(16)19)12(11)18-14/h1-7H,(H2,16,19)(H,17,18)
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8.40n/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))
BDBM50093385
PNG
(2-(2-Fluoro-phenyl)-1H-benzoimidazole-4-carboxylic...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccccc1F
Show InChI InChI=1S/C14H10FN3O/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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9n/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))
BDBM50093378
PNG
(2-(2-Hydroxymethyl-phenyl)-1H-benzoimidazole-4-car...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccccc1CO
Show InChI InChI=1S/C15H13N3O2/c16-14(20)11-6-3-7-12-13(11)18-15(17-12)10-5-2-1-4-9(10)8-19/h1-7,19H,8H2,(H2,16,20)(H,17,18)
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10.6n/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
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))
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))
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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n/an/a 30n/an/an/an/an/an/a



Department of Chemistry, Tsinghua University, Beijing, 100084, PR China; The Ministry-Province Jointly Constructed Base for State Key Lab-Shenzhen Key Laboratory of Chemical Biology, The Graduate Sch

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
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