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Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'ficco' and Initial = 'rp'   
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))
BDBM50131015
PNG
(8-Fluoro-1,3,4,5-tetrahydro-2H-benzo[c][1,6]naphth...)
Show SMILES Fc1ccc2c3CNCCc3[nH]c(=O)c2c1
Show InChI InChI=1S/C12H11FN2O/c13-7-1-2-8-9(5-7)12(16)15-11-3-4-14-6-10(8)11/h1-2,5,14H,3-4,6H2,(H,15,16)
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n/an/a 20n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131011
PNG
(8-Fluoro-2-(3-piperidin-1-yl-propionyl)-1,3,4,5-te...)
Show SMILES Fc1ccc2c3CN(CCc3[nH]c(=O)c2c1)C(=O)CCN1CCCCC1
Show InChI InChI=1S/C20H24FN3O2/c21-14-4-5-15-16(12-14)20(26)22-18-6-11-24(13-17(15)18)19(25)7-10-23-8-2-1-3-9-23/h4-5,12H,1-3,6-11,13H2,(H,22,26)
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n/an/a 25n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131003
PNG
(1,3,4,5-Tetrahydro-2H-benzo[c][1,7]naphthyridin-6-...)
Show SMILES O=c1[nH]c2CNCCc2c2ccccc12
Show InChI InChI=1S/C12H12N2O/c15-12-10-4-2-1-3-8(10)9-5-6-13-7-11(9)14-12/h1-4,13H,5-7H2,(H,14,15)
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n/an/a 30n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131006
PNG
(3-(Pyrrolidine-2-carbonyl)-1,3,4,5-tetrahydro-2H-b...)
Show SMILES O=C([C@@H]1CCCN1)N1CCc2c(C1)[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C17H19N3O2/c21-16-13-5-2-1-4-11(13)12-7-9-20(10-15(12)19-16)17(22)14-6-3-8-18-14/h1-2,4-5,14,18H,3,6-10H2,(H,19,21)/t14-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131016
PNG
(8-Fluoro-2-[3-(4-pyrrolidin-1-yl-piperidin-1-yl)-p...)
Show SMILES Fc1ccc2c3CN(CCc3[nH]c(=O)c2c1)C(=O)CCN1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C24H31FN4O2/c25-17-3-4-19-20(15-17)24(31)26-22-7-14-29(16-21(19)22)23(30)8-13-27-11-5-18(6-12-27)28-9-1-2-10-28/h3-4,15,18H,1-2,5-14,16H2,(H,26,31)
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n/an/a 32n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131012
PNG
(1,3,4,5-Tetrahydro-2H-benzo[c][1,6]naphthyridin-6-...)
Show SMILES O=c1[nH]c2CCNCc2c2ccccc12
Show InChI InChI=1S/C12H12N2O/c15-12-9-4-2-1-3-8(9)10-7-13-6-5-11(10)14-12/h1-4,13H,5-7H2,(H,14,15)
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n/an/a 35n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131017
PNG
(2-(3-Piperidin-1-yl-propionyl)-1,3,4,5-tetrahydro-...)
Show SMILES O=C(CCN1CCCCC1)N1CCc2[nH]c(=O)c3ccccc3c2C1
Show InChI InChI=1S/C20H25N3O2/c24-19(9-12-22-10-4-1-5-11-22)23-13-8-18-17(14-23)15-6-2-3-7-16(15)20(25)21-18/h2-3,6-7H,1,4-5,8-14H2,(H,21,25)
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n/an/a 42n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130578
PNG
(2-(2,5-Diaza-bicyclo[2.2.1]hept-2-yl)-5H-benzo[c][...)
Show SMILES O=c1[nH]c2ccc(nc2c2ccccc12)N1C[C@H]2C[C@@H]1CN2
Show InChI InChI=1S/C17H16N4O/c22-17-13-4-2-1-3-12(13)16-14(19-17)5-6-15(20-16)21-9-10-7-11(21)8-18-10/h1-6,10-11,18H,7-9H2,(H,19,22)/t10-,11-/m1/s1
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n/an/a 42n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130575
PNG
(2-(4-Methyl-piperazin-1-yl)-5H-benzo[c][1,5]naphth...)
Show SMILES CN1CCN(CC1)c1ccc2[nH]c(=O)c3ccccc3c2n1
Show InChI InChI=1S/C17H18N4O/c1-20-8-10-21(11-9-20)15-7-6-14-16(19-15)12-4-2-3-5-13(12)17(22)18-14/h2-7H,8-11H2,1H3,(H,18,22)
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n/an/a 45n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130576
PNG
(2-(5-Methyl-2,5-diaza-bicyclo[2.2.1]hept-2-yl)-5H-...)
Show SMILES CN1C[C@H]2C[C@@H]1CN2c1ccc2[nH]c(=O)c3ccccc3c2n1
Show InChI InChI=1S/C18H18N4O/c1-21-9-12-8-11(21)10-22(12)16-7-6-15-17(20-16)13-4-2-3-5-14(13)18(23)19-15/h2-7,11-12H,8-10H2,1H3,(H,19,23)/t11-,12-/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130568
PNG
(2-Piperazin-1-yl-5H-benzo[c][1,5]naphthyridin-6-on...)
Show SMILES O=c1[nH]c2ccc(nc2c2ccccc12)N1CCNCC1
Show InChI InChI=1S/C16H16N4O/c21-16-12-4-2-1-3-11(12)15-13(18-16)5-6-14(19-15)20-9-7-17-8-10-20/h1-6,17H,7-10H2,(H,18,21)
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n/an/a 58n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131005
PNG
(2-(2-Piperidin-1-yl-acetyl)-1,3,4,5-tetrahydro-2H-...)
Show SMILES O=C(CN1CCCCC1)N1CCc2[nH]c(=O)c3ccccc3c2C1
Show InChI InChI=1S/C19H23N3O2/c23-18(13-21-9-4-1-5-10-21)22-11-8-17-16(12-22)14-6-2-3-7-15(14)19(24)20-17/h2-3,6-7H,1,4-5,8-13H2,(H,20,24)
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n/an/a 59n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130567
PNG
(2-(4-Cyclopropylmethyl-piperazin-1-yl)-5H-benzo[c]...)
Show SMILES O=c1[nH]c2ccc(nc2c2ccccc12)N1CCN(CC2CC2)CC1
Show InChI InChI=1S/C20H22N4O/c25-20-16-4-2-1-3-15(16)19-17(21-20)7-8-18(22-19)24-11-9-23(10-12-24)13-14-5-6-14/h1-4,7-8,14H,5-6,9-13H2,(H,21,25)
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n/an/a 71n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130570
PNG
(2-(4-Pyrrolidin-1-yl-piperidin-1-yl)-5H-benzo[c][1...)
Show SMILES O=c1[nH]c2ccc(nc2c2ccccc12)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C21H24N4O/c26-21-17-6-2-1-5-16(17)20-18(22-21)7-8-19(23-20)25-13-9-15(10-14-25)24-11-3-4-12-24/h1-2,5-8,15H,3-4,9-14H2,(H,22,26)
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n/an/a 75n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130582
PNG
(2-(4-Isopropyl-piperazin-1-yl)-N-(6-oxo-5,6-dihydr...)
Show SMILES CC(C)N1CCN(CC(=O)Nc2cnc3c(c2)[nH]c(=O)c2ccccc32)CC1
Show InChI InChI=1S/C21H25N5O2/c1-14(2)26-9-7-25(8-10-26)13-19(27)23-15-11-18-20(22-12-15)16-5-3-4-6-17(16)21(28)24-18/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,23,27)(H,24,28)
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n/an/a 86n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131004
PNG
((2S)-2-ammonio-5-oxo-5-(6-oxo-3,4,5,6-tetrahydrobe...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCc2[nH]c(=O)c3ccccc3c2C1)C([O-])=O
Show InChI InChI=1S/C17H19N3O4/c18-13(17(23)24)5-6-15(21)20-8-7-14-12(9-20)10-3-1-2-4-11(10)16(22)19-14/h1-4,13H,5-9,18H2,(H,19,22)(H,23,24)/t13-/m0/s1
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n/an/a 89n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130577
PNG
(2-Dimethylamino-N-(6-oxo-5,6-dihydro-benzo[c][1,5]...)
Show SMILES CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2n1
Show InChI InChI=1S/C16H16N4O2/c1-20(2)9-14(21)18-13-8-7-12-15(19-13)10-5-3-4-6-11(10)16(22)17-12/h3-8H,9H2,1-2H3,(H,17,22)(H,18,19,21)
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n/an/a 98n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131018
PNG
(2-[3-(4-Pyrrolidin-1-yl-piperidin-1-yl)-propionyl]...)
Show SMILES O=C(CCN1CCC(CC1)N1CCCC1)N1CCc2[nH]c(=O)c3ccccc3c2C1
Show InChI InChI=1S/C24H32N4O2/c29-23(10-15-26-13-7-18(8-14-26)27-11-3-4-12-27)28-16-9-22-21(17-28)19-5-1-2-6-20(19)24(30)25-22/h1-2,5-6,18H,3-4,7-17H2,(H,25,30)
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n/an/a 99n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130593
PNG
(CHEMBL543159 | N-(6-Oxo-5,6-dihydro-benzo[c][1,5]n...)
Show SMILES O=C(CN1CCCCC1)Nc1cnc2c(c1)[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C19H20N4O2/c24-17(12-23-8-4-1-5-9-23)21-13-10-16-18(20-11-13)14-6-2-3-7-15(14)19(25)22-16/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,21,24)(H,22,25)
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n/an/a 111n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130573
PNG
(2-(4-Dimethylamino-piperidin-1-yl)-5H-benzo[c][1,5...)
Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(=O)c3ccccc3c2n1
Show InChI InChI=1S/C19H22N4O/c1-22(2)13-9-11-23(12-10-13)17-8-7-16-18(21-17)14-5-3-4-6-15(14)19(24)20-16/h3-8,13H,9-12H2,1-2H3,(H,20,24)
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n/an/a 112n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131007
PNG
(3-[2-(4-Cyclopentyl-piperazin-1-yl)-acetyl]-1,3,4,...)
Show SMILES O=C(CN1CCN(CC1)C1CCCC1)N1CCc2c(C1)[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C23H30N4O2/c28-22(16-25-11-13-26(14-12-25)17-5-1-2-6-17)27-10-9-19-18-7-3-4-8-20(18)23(29)24-21(19)15-27/h3-4,7-8,17H,1-2,5-6,9-16H2,(H,24,29)
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n/an/a 116n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130585
PNG
(5H-Benzo[c][1,5]naphthyridin-6-one | CHEMBL320031 ...)
Show SMILES O=c1[nH]c2cccnc2c2ccccc12
Show InChI InChI=1S/C12H8N2O/c15-12-9-5-2-1-4-8(9)11-10(14-12)6-3-7-13-11/h1-7H,(H,14,15)
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n/an/a 116n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130579
PNG
(5H-Benzo[c][1,6]naphthyridin-6-one | CHEMBL82342)
Show SMILES O=c1[nH]c2ccncc2c2ccccc12
Show InChI InChI=1S/C12H8N2O/c15-12-9-4-2-1-3-8(9)10-7-13-6-5-11(10)14-12/h1-7H,(H,14,15)
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n/an/a 128n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130579
PNG
(5H-Benzo[c][1,6]naphthyridin-6-one | CHEMBL82342)
Show SMILES O=c1[nH]c2ccncc2c2ccccc12
Show InChI InChI=1S/C12H8N2O/c15-12-9-4-2-1-3-8(9)10-7-13-6-5-11(10)14-12/h1-7H,(H,14,15)
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n/an/a 128n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130566
PNG
(CHEMBL542692 | N-(6-Oxo-5,6-dihydro-benzo[c][1,5]n...)
Show SMILES O=C(CN1CCC(CC1)N1CCCC1)Nc1cnc2c(c1)[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C23H27N5O2/c29-21(15-27-11-7-17(8-12-27)28-9-3-4-10-28)25-16-13-20-22(24-14-16)18-5-1-2-6-19(18)23(30)26-20/h1-2,5-6,13-14,17H,3-4,7-12,15H2,(H,25,29)(H,26,30)
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n/an/a 134n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130572
PNG
(CHEMBL545507 | N-(6-Oxo-5,6-dihydro-benzo[c][1,5]n...)
Show SMILES O=C(CN1CCC(CC1)N1CCCC1)Nc1ccc2[nH]c(=O)c3ccccc3c2n1
Show InChI InChI=1S/C23H27N5O2/c29-21(15-27-13-9-16(10-14-27)28-11-3-4-12-28)25-20-8-7-19-22(26-20)17-5-1-2-6-18(17)23(30)24-19/h1-2,5-8,16H,3-4,9-15H2,(H,24,30)(H,25,26,29)
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n/an/a 142n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130569
PNG
(CHEMBL542927 | N-(6-Oxo-5,6-dihydro-benzo[c][1,5]n...)
Show SMILES O=C(CN1CCCCC1)Nc1ccc2[nH]c(=O)c3ccccc3c2n1
Show InChI InChI=1S/C19H20N4O2/c24-17(12-23-10-4-1-5-11-23)21-16-9-8-15-18(22-16)13-6-2-3-7-14(13)19(25)20-15/h2-3,6-9H,1,4-5,10-12H2,(H,20,25)(H,21,22,24)
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n/an/a 150n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131001
PNG
(3-(2-Piperidin-1-yl-acetyl)-1,3,4,5-tetrahydro-2H-...)
Show SMILES O=C(CN1CCCCC1)N1CCc2c(C1)[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C19H23N3O2/c23-18(13-21-9-4-1-5-10-21)22-11-8-15-14-6-2-3-7-16(14)19(24)20-17(15)12-22/h2-3,6-7H,1,4-5,8-13H2,(H,20,24)
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n/an/a 162n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130586
PNG
(2-Dimethylamino-N-(6-oxo-5,6-dihydro-benzo[c][1,5]...)
Show SMILES CN(C)CC(=O)Nc1cnc2c(c1)[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C16H16N4O2/c1-20(2)9-14(21)18-10-7-13-15(17-8-10)11-5-3-4-6-12(11)16(22)19-13/h3-8H,9H2,1-2H3,(H,18,21)(H,19,22)
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n/an/a 165n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131021
PNG
(1,3,4,5-Tetrahydro-2H-phenanthridin-6-one | CHEMBL...)
Show SMILES O=c1[nH]c2CCCCc2c2ccccc12
Show InChI InChI=1S/C13H13NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-2,5,7H,3-4,6,8H2,(H,14,15)
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n/an/a 167n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130590
PNG
(5H-Benzo[c][1,7]naphthyridin-6-one | CHEMBL311091)
Show SMILES O=c1[nH]c2cnccc2c2ccccc12
Show InChI InChI=1S/C12H8N2O/c15-12-10-4-2-1-3-8(10)9-5-6-13-7-11(9)14-12/h1-7H,(H,14,15)
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n/an/a 169n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130590
PNG
(5H-Benzo[c][1,7]naphthyridin-6-one | CHEMBL311091)
Show SMILES O=c1[nH]c2cnccc2c2ccccc12
Show InChI InChI=1S/C12H8N2O/c15-12-10-4-2-1-3-8(10)9-5-6-13-7-11(9)14-12/h1-7H,(H,14,15)
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n/an/a 169n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130589
PNG
(2-(2-Diethylamino-ethylamino)-5H-benzo[c][1,5]naph...)
Show SMILES CCN(CC)CCNc1ccc2[nH]c(=O)c3ccccc3c2n1
Show InChI InChI=1S/C18H22N4O/c1-3-22(4-2)12-11-19-16-10-9-15-17(21-16)13-7-5-6-8-14(13)18(23)20-15/h5-10H,3-4,11-12H2,1-2H3,(H,19,21)(H,20,23)
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n/an/a 173n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130580
PNG
(3-Amino-5H-benzo[c][1,5]naphthyridin-6-one | 3-ami...)
Show SMILES Nc1cnc2c(c1)[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C12H9N3O/c13-7-5-10-11(14-6-7)8-3-1-2-4-9(8)12(16)15-10/h1-6H,13H2,(H,15,16)
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n/an/a 180n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131019
PNG
(2-[2-(4-Pyrrolidin-1-yl-piperidin-1-yl)-acetyl]-1,...)
Show SMILES O=C(CN1CCC(CC1)N1CCCC1)N1CCc2[nH]c(=O)c3ccccc3c2C1
Show InChI InChI=1S/C23H30N4O2/c28-22(16-25-12-7-17(8-13-25)26-10-3-4-11-26)27-14-9-21-20(15-27)18-5-1-2-6-19(18)23(29)24-21/h1-2,5-6,17H,3-4,7-16H2,(H,24,29)
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n/an/a 185n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130571
PNG
(2-Amino-5H-benzo[c][1,5]naphthyridin-6-one | CHEMB...)
Show SMILES Nc1ccc2[nH]c(=O)c3ccccc3c2n1
Show InChI InChI=1S/C12H9N3O/c13-10-6-5-9-11(15-10)7-3-1-2-4-8(7)12(16)14-9/h1-6H,(H2,13,15)(H,14,16)
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n/an/a 209n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131022
PNG
(2-(2-Piperidin-1-yl-ethanesulfonyl)-1,3,4,5-tetrah...)
Show SMILES O=c1[nH]c2CCN(Cc2c2ccccc12)S(=O)(=O)CCN1CCCCC1
Show InChI InChI=1S/C19H25N3O3S/c23-19-16-7-3-2-6-15(16)17-14-22(11-8-18(17)20-19)26(24,25)13-12-21-9-4-1-5-10-21/h2-3,6-7H,1,4-5,8-14H2,(H,20,23)
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n/an/a 210n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131020
PNG
(3-(3-Piperidin-1-yl-propionyl)-1,3,4,5-tetrahydro-...)
Show SMILES O=C(CCN1CCCCC1)N1CCc2c(C1)[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C20H25N3O2/c24-19(9-12-22-10-4-1-5-11-22)23-13-8-16-15-6-2-3-7-17(15)20(25)21-18(16)14-23/h2-3,6-7H,1,4-5,8-14H2,(H,21,25)
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n/an/a 240n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131009
PNG
(3-[3-(4-Pyrrolidin-1-yl-piperidin-1-yl)-propionyl]...)
Show SMILES O=C(CCN1CCC(CC1)N1CCCC1)N1CCc2c(C1)[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C24H32N4O2/c29-23(10-15-26-13-7-18(8-14-26)27-11-3-4-12-27)28-16-9-20-19-5-1-2-6-21(19)24(30)25-22(20)17-28/h1-2,5-6,18H,3-4,7-17H2,(H,25,30)
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n/an/a 243n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130574
PNG
(2-(4-Methyl-4-oxy-piperazin-1-yl)-5H-benzo[c][1,5]...)
Show SMILES C[N+]1([O-])CCN(CC1)c1ccc2[nH]c(=O)c3ccccc3c2n1
Show InChI InChI=1S/C17H18N4O2/c1-21(23)10-8-20(9-11-21)15-7-6-14-16(19-15)12-4-2-3-5-13(12)17(22)18-14/h2-7H,8-11H2,1H3,(H,18,22)
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n/an/a 247n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130592
PNG
(2-(4-Isopropyl-piperazin-1-yl)-N-(6-oxo-5,6-dihydr...)
Show SMILES CC(C)N1CCN(CC(=O)Nc2ccc3[nH]c(=O)c4ccccc4c3n2)CC1
Show InChI InChI=1S/C21H25N5O2/c1-14(2)26-11-9-25(10-12-26)13-19(27)23-18-8-7-17-20(24-18)15-5-3-4-6-16(15)21(28)22-17/h3-8,14H,9-13H2,1-2H3,(H,22,28)(H,23,24,27)
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n/an/a 277n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130583
PNG
(5H-Benzo[c][1,8]naphthyridin-6-one | CHEMBL110381)
Show SMILES O=c1[nH]c2ncccc2c2ccccc12
Show InChI InChI=1S/C12H8N2O/c15-12-10-5-2-1-4-8(10)9-6-3-7-13-11(9)14-12/h1-7H,(H,13,14,15)
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n/an/a 311n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130588
PNG
(2-(2-Morpholin-4-yl-ethylamino)-5H-benzo[c][1,5]na...)
Show SMILES O=c1[nH]c2ccc(NCCN3CCOCC3)nc2c2ccccc12
Show InChI InChI=1S/C18H20N4O2/c23-18-14-4-2-1-3-13(14)17-15(20-18)5-6-16(21-17)19-7-8-22-9-11-24-12-10-22/h1-6H,7-12H2,(H,19,21)(H,20,23)
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n/an/a 339n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131010
PNG
(3-[2-(4-Pyrrolidin-1-yl-piperidin-1-yl)-ethanesulf...)
Show SMILES O=c1[nH]c2CN(CCc2c2ccccc12)S(=O)(=O)CCN1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C23H32N4O3S/c28-23-21-6-2-1-5-19(21)20-9-14-27(17-22(20)24-23)31(29,30)16-15-25-12-7-18(8-13-25)26-10-3-4-11-26/h1-2,5-6,18H,3-4,7-17H2,(H,24,28)
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n/an/a 349n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27500
PNG
(5,6-dihydrophenanthridin-6-one | 5H-Phenanthridin-...)
Show SMILES O=c1[nH]c2ccccc2c2ccccc12
Show InChI InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
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n/an/a 350n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27500
PNG
(5,6-dihydrophenanthridin-6-one | 5H-Phenanthridin-...)
Show SMILES O=c1[nH]c2ccccc2c2ccccc12
Show InChI InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
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n/an/a 350n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131008
PNG
(2-[2-(4-Pyrrolidin-1-yl-piperidin-1-yl)-ethanesulf...)
Show SMILES O=c1[nH]c2CCN(Cc2c2ccccc12)S(=O)(=O)CCN1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C23H32N4O3S/c28-23-20-6-2-1-5-19(20)21-17-27(14-9-22(21)24-23)31(29,30)16-15-25-12-7-18(8-13-25)26-10-3-4-11-26/h1-2,5-6,18H,3-4,7-17H2,(H,24,28)
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Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131002
PNG
(3-(2-Piperidin-1-yl-ethanesulfonyl)-1,3,4,5-tetrah...)
Show SMILES O=c1[nH]c2CN(CCc2c2ccccc12)S(=O)(=O)CCN1CCCCC1
Show InChI InChI=1S/C19H25N3O3S/c23-19-17-7-3-2-6-15(17)16-8-11-22(14-18(16)20-19)26(24,25)13-12-21-9-4-1-5-10-21/h2-3,6-7H,1,4-5,8-14H2,(H,20,23)
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Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50131014
PNG
(2-(4-Piperidin-1-yl-butyryl)-1,3,4,5-tetrahydro-2H...)
Show SMILES O=C(CCCN1CCCCC1)N1CCc2[nH]c(=O)c3ccccc3c2C1
Show InChI InChI=1S/C21H27N3O2/c25-20(9-6-13-23-11-4-1-5-12-23)24-14-10-19-18(15-24)16-7-2-3-8-17(16)21(26)22-19/h2-3,7-8H,1,4-6,9-15H2,(H,22,26)
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Guilford Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2513-8 (2003)


BindingDB Entry DOI: 10.7270/Q23N22S0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130591
PNG
(5-(6-Oxo-5,6-dihydro-benzo[c][1,5]naphthyridin-2-y...)
Show SMILES CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1CN2c1ccc2[nH]c(=O)c3ccccc3c2n1
Show InChI InChI=1S/C22H24N4O3/c1-22(2,3)29-21(28)26-12-13-10-14(26)11-25(13)18-9-8-17-19(24-18)15-6-4-5-7-16(15)20(27)23-17/h4-9,13-14H,10-12H2,1-3H3,(H,23,27)/t13-,14-/m1/s1
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Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
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