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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'goldman' and Initial = 'p'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM27700
PNG
(3,5-dimethyl-4,5,7-triazatricyclo[7.4.0.0^{2,6}]tr...)
Show SMILES Cc1nn(C)c2[nH]c(=O)c3CCCCc3c12
Show InChI InChI=1S/C12H15N3O/c1-7-10-8-5-3-4-6-9(8)12(16)13-11(10)15(2)14-7/h3-6H2,1-2H3,(H,13,16)
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n/an/a 2.20n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27685
PNG
(2-{4-[(dimethylamino)methyl]phenyl}-3,10-diazatric...)
Show SMILES CN(C)Cc1ccc(cc1)-c1[nH]c2cccc3C(=O)NCCc1c23
Show InChI InChI=1S/C20H21N3O/c1-23(2)12-13-6-8-14(9-7-13)19-15-10-11-21-20(24)16-4-3-5-17(22-19)18(15)16/h3-9,22H,10-12H2,1-2H3,(H,21,24)
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n/an/a 5n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27702
PNG
(5-methyl-3-(thiophen-2-yl)-4,5,7-triazatricyclo[7....)
Show SMILES Cn1nc(-c2cccs2)c2c3CCCCc3c(=O)[nH]c12
Show InChI InChI=1S/C15H15N3OS/c1-18-14-12(13(17-18)11-7-4-8-20-11)9-5-2-3-6-10(9)15(19)16-14/h4,7-8H,2-3,5-6H2,1H3,(H,16,19)
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n/an/a 6.90n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27701
PNG
(5-methyl-3-phenyl-4,5,7-triazatricyclo[7.4.0.0^{2,...)
Show SMILES Cn1nc(-c2ccccc2)c2c3CCCCc3c(=O)[nH]c12
Show InChI InChI=1S/C17H17N3O/c1-20-16-14(15(19-20)11-7-3-2-4-8-11)12-9-5-6-10-13(12)17(21)18-16/h2-4,7-8H,5-6,9-10H2,1H3,(H,18,21)
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n/an/a 7.30n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27497
PNG
(2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridi...)
Show SMILES CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
Show InChI InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
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n/an/a 20n/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
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27694
PNG
(3,5-dimethyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]do...)
Show SMILES Cc1nn(C)c2[nH]c(=O)c3CCCc3c12
Show InChI InChI=1S/C11H13N3O/c1-6-9-7-4-3-5-8(7)11(15)12-10(9)14(2)13-6/h3-5H2,1-2H3,(H,12,15)
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n/an/a 29.8n/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
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



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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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27689
PNG
(3,5-dimethyl-11-thia-4,5,7-triazatricyclo[7.3.0.0^...)
Show SMILES Cc1nn(C)c2[nH]c(=O)c3CSCc3c12
Show InChI InChI=1S/C10H11N3OS/c1-5-8-6-3-15-4-7(6)10(14)11-9(8)13(2)12-5/h3-4H2,1-2H3,(H,11,14)
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n/an/a 92.7n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27695
PNG
(5-methyl-3-phenyl-4,5,7-triazatricyclo[7.3.0.0^{2,...)
Show SMILES Cn1nc(-c2ccccc2)c2c3CCCc3c(=O)[nH]c12
Show InChI InChI=1S/C16H15N3O/c1-19-15-13(11-8-5-9-12(11)16(20)17-15)14(18-19)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,17,20)
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n/an/a 106n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27690
PNG
(5-methyl-3-phenyl-11-thia-4,5,7-triazatricyclo[7.3...)
Show SMILES Cn1nc(-c2ccccc2)c2c3CSCc3c(=O)[nH]c12
Show InChI InChI=1S/C15H13N3OS/c1-18-14-12(10-7-20-8-11(10)15(19)16-14)13(17-18)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,16,19)
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n/an/a 110n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27696
PNG
(5-methyl-3-(thiophen-2-yl)-4,5,7-triazatricyclo[7....)
Show SMILES Cn1nc(-c2cccs2)c2c3CCCc3c(=O)[nH]c12
Show InChI InChI=1S/C14H13N3OS/c1-17-13-11(12(16-17)10-6-3-7-19-10)8-4-2-5-9(8)14(18)15-13/h3,6-7H,2,4-5H2,1H3,(H,15,18)
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n/an/a 149n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27682
PNG
(5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...)
Show SMILES Cc1cccc2C(=O)NCCc12
Show InChI InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)
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n/an/a 160n/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
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27691
PNG
(5-methyl-3-(thiophen-2-yl)-11-thia-4,5,7-triazatri...)
Show SMILES Cn1nc(-c2cccs2)c2c3CSCc3c(=O)[nH]c12
Show InChI InChI=1S/C13H11N3OS2/c1-16-12-10(11(15-16)9-3-2-4-19-9)7-5-18-6-8(7)13(17)14-12/h2-4H,5-6H2,1H3,(H,14,17)
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n/an/a 428n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27697
PNG
(5-tert-butyl-3-methyl-4,5,7-triazatricyclo[7.3.0.0...)
Show SMILES Cc1nn(c2[nH]c(=O)c3CCCc3c12)C(C)(C)C
Show InChI InChI=1S/C14H19N3O/c1-8-11-9-6-5-7-10(9)13(18)15-12(11)17(16-8)14(2,3)4/h5-7H2,1-4H3,(H,15,18)
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n/an/a 519n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27692
PNG
(5-tert-butyl-3-methyl-11-thia-4,5,7-triazatricyclo...)
Show SMILES Cc1nn(c2[nH]c(=O)c3CSCc3c12)C(C)(C)C
Show InChI InChI=1S/C13H17N3OS/c1-7-10-8-5-18-6-9(8)12(17)14-11(10)16(15-7)13(2,3)4/h5-6H2,1-4H3,(H,14,17)
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n/an/a 1.84E+3n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27687
PNG
(4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.0^{3,7}]do...)
Show SMILES Cc1nn(C)c2nc3CCCc3c(O)c12
Show InChI InChI=1S/C11H13N3O/c1-6-9-10(15)7-4-3-5-8(7)12-11(9)14(2)13-6/h3-5H2,1-2H3,(H,12,15)
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n/an/a 7.00E+3n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27703
PNG
(3-methyl-5-phenyl-4,5,7-triazatricyclo[7.4.0.0^{2,...)
Show SMILES Cc1nn(-c2ccccc2)c2[nH]c(=O)c3CCCCc3c12
Show InChI InChI=1S/C17H17N3O/c1-11-15-13-9-5-6-10-14(13)17(21)18-16(15)20(19-11)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H,18,21)
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n/an/a 9.72E+3n/an/an/an/a8.023



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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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27699
PNG
(3,5-diphenyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]do...)
Show SMILES O=c1[nH]c2n(nc(-c3ccccc3)c2c2CCCc12)-c1ccccc1
Show InChI InChI=1S/C21H17N3O/c25-21-17-13-7-12-16(17)18-19(14-8-3-1-4-9-14)23-24(20(18)22-21)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,22,25)
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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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27693
PNG
(3-methyl-5-phenyl-11-thia-4,5,7-triazatricyclo[7.3...)
Show SMILES Cc1nn(-c2ccccc2)c2[nH]c(=O)c3CSCc3c12
Show InChI InChI=1S/C15H13N3OS/c1-9-13-11-7-20-8-12(11)15(19)16-14(13)18(17-9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,16,19)
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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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27688
PNG
(1,3-dimethyl-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]q...)
Show SMILES Cc1nn(C)c2nc3CCCCc3c(O)c12
Show InChI InChI=1S/C12H15N3O/c1-7-10-11(16)8-5-3-4-6-9(8)13-12(10)15(2)14-7/h3-6H2,1-2H3,(H,13,16)
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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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27686
PNG
(4,6-dimethyl-11-thia-2,4,5-triazatricyclo[7.3.0.0^...)
Show SMILES Cc1nn(C)c2nc3CSCc3c(O)c12
Show InChI InChI=1S/C10H11N3OS/c1-5-8-9(14)6-3-15-4-7(6)11-10(8)13(2)12-5/h3-4H2,1-2H3,(H,11,14)
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n/an/a>1.00E+4n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27704
PNG
(3,5-diphenyl-4,5,7-triazatricyclo[7.4.0.0^{2,6}]tr...)
Show SMILES O=c1[nH]c2n(nc(-c3ccccc3)c2c2CCCCc12)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c26-22-18-14-8-7-13-17(18)19-20(15-9-3-1-4-10-15)24-25(21(19)23-22)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,23,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27698
PNG
(3-methyl-5-phenyl-4,5,7-triazatricyclo[7.3.0.0^{2,...)
Show SMILES Cc1nn(-c2ccccc2)c2[nH]c(=O)c3CCCc3c12
Show InChI InChI=1S/C16H15N3O/c1-10-14-12-8-5-9-13(12)16(20)17-15(14)19(18-10)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,17,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/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