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Compile Data Set for Download or QSAR

Found 151 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase-1' AND taxid = 10090   
Target
(Institution)
LigandTarget
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 (Parp1)


(Mus musculus)
BDBM138348
PNG
(US8877944, 99)
Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
Show InChI InChI=1S/C20H24F3N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)
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US Patent
n/an/a 10n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138344
PNG
(US8877944, 49)
Show SMILES Cc1cccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)c1
Show InChI InChI=1S/C23H27N3O2/c1-16-4-2-5-18(12-16)13-25-10-8-17(9-11-25)14-26-15-19-6-3-7-20(22(24)27)21(19)23(26)28/h2-7,12,17H,8-11,13-15H2,1H3,(H2,24,27)
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n/an/a 40n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50322362
PNG
(2-(4-((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)N1CCN(CC(=O)Nc2cccc3C(=O)NCc23)CC1
Show InChI InChI=1S/C24H27N9O6/c25-20-16-21(28-10-27-20)33(11-29-16)24-18(36)17(35)19(39-24)23(38)32-6-4-31(5-7-32)9-15(34)30-14-3-1-2-12-13(14)8-26-22(12)37/h1-3,10-11,17-19,24,35-36H,4-9H2,(H,26,37)(H,30,34)(H2,25,27,28)/t17-,18+,19-,24+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Tested for inhibition of poly(ADP-ribose) polymerase-1 (PARP-1) in mouse using Cell protection assay


Bioorg Med Chem Lett 14: 81-5 (2003)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138354
PNG
(US8877944, 105)
Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(Cl)(Cl)CC3)C(=O)c12
Show InChI InChI=1S/C20H24Cl2FN3O2/c21-20(22)5-1-14(2-6-20)25-7-3-15(4-8-25)26-11-12-9-13(23)10-16(18(24)27)17(12)19(26)28/h9-10,14-15H,1-8,11H2,(H2,24,27)
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n/an/a 80n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138349
PNG
(US8877944, 103)
Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(=O)CC3)C(=O)c12
Show InChI InChI=1S/C20H24FN3O3/c21-13-9-12-11-24(20(27)18(12)17(10-13)19(22)26)15-5-7-23(8-6-15)14-1-3-16(25)4-2-14/h9-10,14-15H,1-8,11H2,(H2,22,26)
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n/an/a 80n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138342
PNG
(US8877944, 47)
Show SMILES Cc1ccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-16-5-7-17(8-6-16)13-25-11-9-18(10-12-25)14-26-15-19-3-2-4-20(22(24)27)21(19)23(26)28/h2-8,18H,9-15H2,1H3,(H2,24,27)
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n/an/a 80n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138302
PNG
(US8877944, 4)
Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)[C@H]3CC[C@H](CO)CC3)C(=O)c12
Show InChI InChI=1/C21H29N3O3/c22-20(26)18-3-1-2-15-12-24(21(27)19(15)18)17-8-10-23(11-9-17)16-6-4-14(13-25)5-7-16/h1-3,14,16-17,25H,4-13H2,(H2,22,26)/t14-,16-
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n/an/a 90n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138325
PNG
(US8877944, 29)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc5[nH]ccc5c4)CC3)C(=O)c12
Show InChI InChI=1S/C23H24N4O2/c24-22(28)19-3-1-2-17-14-27(23(29)21(17)19)18-7-10-26(11-8-18)13-15-4-5-20-16(12-15)6-9-25-20/h1-6,9,12,18,25H,7-8,10-11,13-14H2,(H2,24,28)
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n/an/a 100n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50366893
PNG
(CHEMBL607649)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CNC(=O)CCC(=O)Nc2cccc3C(=O)NCc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H24N8O6/c23-19-16-20(27-8-26-19)30(9-28-16)22-18(34)17(33)13(36-22)7-24-14(31)4-5-15(32)29-12-3-1-2-10-11(12)6-25-21(10)35/h1-3,8-9,13,17-18,22,33-34H,4-7H2,(H,24,31)(H,25,35)(H,29,32)(H2,23,26,27)/t13-,17-,18-,22?/m1/s1
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Inotek Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Tested for inhibition of poly(ADP-ribose) polymerase-1 (PARP-1) in mouse using Cell protection assay


Bioorg Med Chem Lett 14: 81-5 (2003)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138327
PNG
(US8877944, 31)
Show SMILES Cc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1
Show InChI InChI=1S/C22H25N3O2/c1-15-5-7-16(8-6-15)13-24-11-9-18(10-12-24)25-14-17-3-2-4-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)
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n/an/a 110n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068752
PNG
(8-Methyl-2-(4-nitro-phenyl)-3H-quinazolin-4-one | ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O3/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(8-6-10)18(20)21/h2-8H,1H3,(H,16,17,19)
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n/an/a 130n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138301
PNG
(US8877944, 3)
Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)[C@@H]3CC[C@H](CO)CC3)C(=O)c12
Show InChI InChI=1/C21H29N3O3/c22-20(26)18-3-1-2-15-12-24(21(27)19(15)18)17-8-10-23(11-9-17)16-6-4-14(13-25)5-7-16/h1-3,14,16-17,25H,4-13H2,(H2,22,26)/t14-,16+
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n/an/a 140n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138346
PNG
(US8877944, 51)
Show SMILES NC(=O)c1cccc2CN(CC3CCN(Cc4ccc(F)cc4)CC3)C(=O)c12
Show InChI InChI=1S/C22H24FN3O2/c23-18-6-4-15(5-7-18)12-25-10-8-16(9-11-25)13-26-14-17-2-1-3-19(21(24)27)20(17)22(26)28/h1-7,16H,8-14H2,(H2,24,27)
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n/an/a 160n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138300
PNG
(US8877944, 2)
Show SMILES CO[C@H]1CC[C@@H](CC1)N1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1/C21H29N3O3/c1-27-17-7-5-15(6-8-17)23-11-9-16(10-12-23)24-13-14-3-2-4-18(20(22)25)19(14)21(24)26/h2-4,15-17H,5-13H2,1H3,(H2,22,25)/t15-,17-
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n/an/a 160n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068762
PNG
(2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)
Show SMILES COc1ccc(cc1)-c1nc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O2/c1-10-4-3-5-13-14(10)17-15(18-16(13)19)11-6-8-12(20-2)9-7-11/h3-9H,1-2H3,(H,17,18,19)
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The University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138324
PNG
(US8877944, 28)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccc5[nH]ccc45)CC3)C(=O)c12
Show InChI InChI=1S/C23H24N4O2/c24-22(28)19-5-1-4-16-14-27(23(29)21(16)19)17-8-11-26(12-9-17)13-15-3-2-6-20-18(15)7-10-25-20/h1-7,10,17,25H,8-9,11-14H2,(H2,24,28)
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n/an/a 190n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138322
PNG
(US8877944, 26)
Show SMILES Cc1ncsc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1S/C19H22N4O2S/c1-12-16(26-11-21-12)10-22-7-5-14(6-8-22)23-9-13-3-2-4-15(18(20)24)17(13)19(23)25/h2-4,11,14H,5-10H2,1H3,(H2,20,24)
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n/an/a 200n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068755
PNG
(2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C15H12N2O2/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(18)8-6-10/h2-8,18H,1H3,(H,16,17,19)
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The University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068764
PNG
(8-Hydroxy-2-(4-nitro-phenyl)-3H-quinazolin-4-one |...)
Show SMILES Oc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H9N3O4/c18-11-3-1-2-10-12(11)15-13(16-14(10)19)8-4-6-9(7-5-8)17(20)21/h1-7,18H,(H,15,16,19)
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The University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138332
PNG
(US8877944, 36)
Show SMILES Cc1ccsc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1S/C20H23N3O2S/c1-13-7-10-26-17(13)12-22-8-5-15(6-9-22)23-11-14-3-2-4-16(19(21)24)18(14)20(23)25/h2-4,7,10,15H,5-6,8-9,11-12H2,1H3,(H2,21,24)
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n/an/a 230n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50366900
PNG
(CHEMBL608792)
Show SMILES CN(CCC(=O)Nc1cccc2C(=O)NCc12)C(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C22H24N8O6/c1-29(6-5-13(31)28-12-4-2-3-10-11(12)7-24-20(10)34)21(35)17-15(32)16(33)22(36-17)30-9-27-14-18(23)25-8-26-19(14)30/h2-4,8-9,15-17,22,32-33H,5-7H2,1H3,(H,24,34)(H,28,31)(H2,23,25,26)/t15-,16+,17-,22?/m0/s1
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Inotek Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Tested for inhibition of poly(ADP-ribose) polymerase-1 (PARP-1) in mouse using Cell protection assay


Bioorg Med Chem Lett 14: 81-5 (2003)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138334
PNG
(US8877944, 38)
Show SMILES CC(C)c1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1
Show InChI InChI=1S/C24H29N3O2/c1-16(2)18-8-6-17(7-9-18)14-26-12-10-20(11-13-26)27-15-19-4-3-5-21(23(25)28)22(19)24(27)29/h3-9,16,20H,10-15H2,1-2H3,(H2,25,28)
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n/an/a 260n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138333
PNG
(US8877944, 37)
Show SMILES CCCOc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1
Show InChI InChI=1S/C24H29N3O3/c1-2-14-30-20-8-6-17(7-9-20)15-26-12-10-19(11-13-26)27-16-18-4-3-5-21(23(25)28)22(18)24(27)29/h3-9,19H,2,10-16H2,1H3,(H2,25,28)
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n/an/a 260n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068760
PNG
(4-(8-Methyl-4-oxo-3,4-dihydro-quinazolin-2-yl)-ben...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H11N3O/c1-10-3-2-4-13-14(10)18-15(19-16(13)20)12-7-5-11(9-17)6-8-12/h2-8H,1H3,(H,18,19,20)
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n/an/a 270n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068770
PNG
(8-Hydroxy-2-(4-hydroxy-phenyl)-3H-quinazolin-4-one...)
Show SMILES Oc1ccc(cc1)-c1nc2c(O)cccc2c(=O)[nH]1
Show InChI InChI=1S/C14H10N2O3/c17-9-6-4-8(5-7-9)13-15-12-10(14(19)16-13)2-1-3-11(12)18/h1-7,17-18H,(H,15,16,19)
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The University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138326
PNG
(US8877944, 30)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc5cc[nH]c5c4)CC3)C(=O)c12
Show InChI InChI=1S/C23H24N4O2/c24-22(28)19-3-1-2-17-14-27(23(29)21(17)19)18-7-10-26(11-8-18)13-15-4-5-16-6-9-25-20(16)12-15/h1-6,9,12,18,25H,7-8,10-11,13-14H2,(H2,24,28)
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n/an/a 300n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068753
PNG
(2-(4-Amino-phenyl)-8-methoxy-3H-quinazolin-4-one |...)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(N)cc1
Show InChI InChI=1S/C15H13N3O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,16H2,1H3,(H,17,18,19)
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The University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138331
PNG
(US8877944, 35)
Show SMILES COc1cccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c1
Show InChI InChI=1S/C22H25N3O3/c1-28-18-6-2-4-15(12-18)13-24-10-8-17(9-11-24)25-14-16-5-3-7-19(21(23)26)20(16)22(25)27/h2-7,12,17H,8-11,13-14H2,1H3,(H2,23,26)
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n/an/a 300n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138323
PNG
(US8877944, 27)
Show SMILES NC(=O)c1cccc2CN(C3CCN(CC4CCN(Cc5ccccc5)CC4)CC3)C(=O)c12
Show InChI InChI=1S/C27H34N4O2/c28-26(32)24-8-4-7-22-19-31(27(33)25(22)24)23-11-15-30(16-12-23)18-21-9-13-29(14-10-21)17-20-5-2-1-3-6-20/h1-8,21,23H,9-19H2,(H2,28,32)
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n/an/a 320n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138335
PNG
(US8877944, 39)
Show SMILES COc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1
Show InChI InChI=1S/C22H25N3O3/c1-28-18-7-5-15(6-8-18)13-24-11-9-17(10-12-24)25-14-16-3-2-4-19(21(23)26)20(16)22(25)27/h2-8,17H,9-14H2,1H3,(H2,23,26)
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n/an/a 330n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138298
PNG
(US8877944, 7)
Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
Show InChI InChI=1S/C20H25F2N3O2/c21-20(22)8-4-14(5-9-20)24-10-6-15(7-11-24)25-12-13-2-1-3-16(18(23)26)17(13)19(25)27/h1-3,14-15H,4-12H2,(H2,23,26)
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n/an/a 330n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138341
PNG
(US8877944, 45)
Show SMILES Cc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)s1
Show InChI InChI=1S/C20H23N3O2S/c1-13-5-6-16(26-13)12-22-9-7-15(8-10-22)23-11-14-3-2-4-17(19(21)24)18(14)20(23)25/h2-6,15H,7-12H2,1H3,(H2,21,24)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138328
PNG
(US8877944, 32)
Show SMILES CC(C)n1cc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c2ccccc12
Show InChI InChI=1S/C26H30N4O2/c1-17(2)29-16-19(21-7-3-4-9-23(21)29)14-28-12-10-20(11-13-28)30-15-18-6-5-8-22(25(27)31)24(18)26(30)32/h3-9,16-17,20H,10-15H2,1-2H3,(H2,27,31)
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n/an/a 380n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068761
PNG
(2,8-Dimethyl-3H-quinazolin-4-one | CHEMBL151549)
Show SMILES Cc1nc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C10H10N2O/c1-6-4-3-5-8-9(6)11-7(2)12-10(8)13/h3-5H,1-2H3,(H,11,12,13)
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n/an/a 390n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138299
PNG
(US8877944, 1)
Show SMILES CO[C@H]1CC[C@H](CC1)N1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1/C21H29N3O3/c1-27-17-7-5-15(6-8-17)23-11-9-16(10-12-23)24-13-14-3-2-4-18(20(22)25)19(14)21(24)26/h2-4,15-17H,5-13H2,1H3,(H2,22,25)/t15-,17+
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n/an/a 390n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068774
PNG
(8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE | 8-Hy...)
Show SMILES Cc1nc2c(O)cccc2c(=O)[nH]1
Show InChI InChI=1S/C9H8N2O2/c1-5-10-8-6(9(13)11-5)3-2-4-7(8)12/h2-4,12H,1H3,(H,10,11,13)
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n/an/a 400n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138297
PNG
(US8877944, 46)
Show SMILES NC(=O)c1cccc2CN(CCCN3CCN(CC3)c3cccc(Cl)c3)C(=O)c12
Show InChI InChI=1S/C22H25ClN4O2/c23-17-5-2-6-18(14-17)26-12-10-25(11-13-26)8-3-9-27-15-16-4-1-7-19(21(24)28)20(16)22(27)29/h1-2,4-7,14H,3,8-13,15H2,(H2,24,28)
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n/an/a 400n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138347
PNG
(US8877944, 106)
Show SMILES COCCN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1S/C17H23N3O3/c1-23-10-9-19-7-5-13(6-8-19)20-11-12-3-2-4-14(16(18)21)15(12)17(20)22/h2-4,13H,5-11H2,1H3,(H2,18,21)
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n/an/a 410n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
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 440n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068766
PNG
(2-(4-Amino-phenyl)-8-methyl-3H-quinazolin-4-one | ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(N)cc1
Show InChI InChI=1S/C15H13N3O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,16H2,1H3,(H,17,18,19)
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n/an/a 440n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50366902
PNG
(CHEMBL607648)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CNC(=O)CCCC(=O)Nc2cccc3C(=O)NCc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H26N8O6/c24-20-17-21(28-9-27-20)31(10-29-17)23-19(35)18(34)14(37-23)8-25-15(32)5-2-6-16(33)30-13-4-1-3-11-12(13)7-26-22(11)36/h1,3-4,9-10,14,18-19,23,34-35H,2,5-8H2,(H,25,32)(H,26,36)(H,30,33)(H2,24,27,28)/t14-,18-,19-,23?/m1/s1
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n/an/a 450n/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Tested for inhibition of poly(ADP-ribose) polymerase-1 (PARP-1) in mouse using Cell protection assay


Bioorg Med Chem Lett 14: 81-5 (2003)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138340
PNG
(US8877944, 44)
Show SMILES CC(C)Oc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1
Show InChI InChI=1S/C24H29N3O3/c1-16(2)30-20-8-6-17(7-9-20)14-26-12-10-19(11-13-26)27-15-18-4-3-5-21(23(25)28)22(18)24(27)29/h3-9,16,19H,10-15H2,1-2H3,(H2,25,28)
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n/an/a 500n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138350
PNG
(US8877944, 100)
Show SMILES NC(=O)c1cc(Cl)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
Show InChI InChI=1S/C20H24ClF2N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)
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n/an/a 500n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068771
PNG
(2-(4-Amino-phenyl)-8-hydroxy-3H-quinazolin-4-one |...)
Show SMILES Nc1ccc(cc1)-c1nc2c(O)cccc2c(=O)[nH]1
Show InChI InChI=1S/C14H11N3O2/c15-9-6-4-8(5-7-9)13-16-12-10(14(19)17-13)2-1-3-11(12)18/h1-7,18H,15H2,(H,16,17,19)
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The University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138305
PNG
(US8877944, 8)
Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)C3CCC4(CC3)OCCO4)C(=O)c12
Show InChI InChI=1S/C22H29N3O4/c23-20(26)18-3-1-2-15-14-25(21(27)19(15)18)17-6-10-24(11-7-17)16-4-8-22(9-5-16)28-12-13-29-22/h1-3,16-17H,4-14H2,(H2,23,26)
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US Patent
n/an/a 530n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138336
PNG
(US8877944, 40)
Show SMILES CCOc1cccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c1
Show InChI InChI=1S/C23H27N3O3/c1-2-29-19-7-3-5-16(13-19)14-25-11-9-18(10-12-25)26-15-17-6-4-8-20(22(24)27)21(17)23(26)28/h3-8,13,18H,2,9-12,14-15H2,1H3,(H2,24,27)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50366895
PNG
(CHEMBL607633)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CNC(=O)CCCCCCC(=O)Nc2cccc3C(=O)NCc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C26H32N8O6/c27-23-20-24(31-12-30-23)34(13-32-20)26-22(38)21(37)17(40-26)11-28-18(35)8-3-1-2-4-9-19(36)33-16-7-5-6-14-15(16)10-29-25(14)39/h5-7,12-13,17,21-22,26,37-38H,1-4,8-11H2,(H,28,35)(H,29,39)(H,33,36)(H2,27,30,31)/t17-,21-,22-,26?/m1/s1
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Inotek Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Tested for inhibition of poly(ADP-ribose) polymerase-1 (PARP-1) in mouse using Cell protection assay


Bioorg Med Chem Lett 14: 81-5 (2003)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50366904
PNG
(CHEMBL607928)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCC(=O)Nc1cccc2C(=O)NCc12
Show InChI InChI=1S/C21H22N8O6/c22-17-13-18(26-7-25-17)29(8-27-13)21-15(32)14(31)16(35-21)20(34)23-5-4-12(30)28-11-3-1-2-9-10(11)6-24-19(9)33/h1-3,7-8,14-16,21,31-32H,4-6H2,(H,23,34)(H,24,33)(H,28,30)(H2,22,25,26)/t14-,15+,16-,21?/m0/s1
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Inotek Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Tested for inhibition of poly(ADP-ribose) polymerase-1 (PARP-1) in mouse using Cell protection assay


Bioorg Med Chem Lett 14: 81-5 (2003)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068772
PNG
(8-Methoxy-2-methyl-3H-quinazolin-4-one | CHEMBL435...)
Show SMILES COc1cccc2c1nc(C)[nH]c2=O
Show InChI InChI=1S/C10H10N2O2/c1-6-11-9-7(10(13)12-6)4-3-5-8(9)14-2/h3-5H,1-2H3,(H,11,12,13)
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The University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068754
PNG
(8-Methoxy-2-(4-nitro-phenyl)-3H-quinazolin-4-one |...)
Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O4/c1-22-12-4-2-3-11-13(12)16-14(17-15(11)19)9-5-7-10(8-6-9)18(20)21/h2-8H,1H3,(H,16,17,19)
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The University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


Citation and Details
More data for this
Ligand-Target Pair
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