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USPatent US8877944

Compile data set for download or QSAR
Found 96 hits of Enzyme Inhibition Constant Data   
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


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138302
PNG
(US8877944, 4)
Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)[C@H]3CC[C@H](CO)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(-5.63,-2.69,;-6.96,-1.93,;-8.29,-2.69,;-6.96,-.38,;-8.29,.38,;-8.29,1.93,;-6.96,2.69,;-5.63,1.93,;-4.16,2.4,;-3.26,1.15,;-1.72,1.15,;-.95,-.18,;.59,-.18,;1.36,1.15,;.59,2.49,;-.95,2.49,;2.9,1.15,;3.67,2.49,;5.21,2.49,;5.98,1.15,;7.52,1.15,;8.29,-.18,;5.21,-.18,;3.67,-.18,;-4.16,-.09,;-3.39,-1.42,;-5.63,.38,)|
Show InChI InChI=1S/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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138301
PNG
(US8877944, 3)
Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)[C@@H]3CC[C@H](CO)CC3)C(=O)c12 |r,wU:16.16,19.20,(-5.63,-2.7,;-6.96,-1.93,;-8.29,-2.7,;-6.96,-.39,;-8.29,.39,;-8.29,1.93,;-6.96,2.7,;-5.63,1.93,;-4.16,2.4,;-3.26,1.16,;-1.72,1.16,;-.95,-.18,;.59,-.18,;1.36,1.16,;.59,2.49,;-.95,2.49,;2.9,1.16,;3.67,-.18,;5.21,-.18,;5.98,1.16,;7.52,1.16,;8.29,-.18,;5.21,2.49,;3.67,2.49,;-4.16,-.09,;-3.39,-1.42,;-5.63,.39,)|
Show InChI InChI=1S/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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138300
PNG
(US8877944, 2)
Show SMILES CO[C@H]1CC[C@@H](CC1)N1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O |r,wU:5.8,wD:2.1,(8.29,-.18,;7.52,1.16,;5.98,1.16,;5.21,2.49,;3.67,2.49,;2.9,1.16,;3.67,-.18,;5.21,-.18,;1.36,1.16,;.59,-.18,;-.95,-.18,;-1.72,1.16,;-.95,2.49,;.59,2.49,;-3.26,1.16,;-4.16,2.4,;-5.63,1.93,;-6.96,2.7,;-8.29,1.93,;-8.29,.39,;-6.96,-.39,;-6.96,-1.93,;-5.63,-2.7,;-8.29,-2.7,;-5.63,.39,;-4.16,-.09,;-3.39,-1.42,)|
Show InChI InChI=1S/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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138299
PNG
(US8877944, 1)
Show SMILES CO[C@H]1CC[C@H](CC1)N1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O |r,wU:5.8,2.1,(8.29,-.18,;7.52,1.16,;5.98,1.16,;5.21,-.18,;3.67,-.18,;2.9,1.16,;3.67,2.49,;5.21,2.49,;1.36,1.16,;.59,-.18,;-.95,-.18,;-1.72,1.16,;-.95,2.49,;.59,2.49,;-3.26,1.16,;-4.16,2.4,;-5.63,1.93,;-6.96,2.7,;-8.29,1.93,;-8.29,.39,;-6.96,-.39,;-6.96,-1.93,;-5.63,-2.7,;-8.29,-2.7,;-5.63,.39,;-4.16,-.09,;-3.39,-1.42,)|
Show InChI InChI=1S/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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138330
PNG
(US8877944, 34)
Show SMILES Cc1c(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cnn1C
Show InChI InChI=1S/C20H25N5O2/c1-13-15(10-22-23(13)2)11-24-8-6-16(7-9-24)25-12-14-4-3-5-17(19(21)26)18(14)20(25)27/h3-5,10,16H,6-9,11-12H2,1-2H3,(H2,21,26)
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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138329
PNG
(US8877944, 33)
Show SMILES Cn1cc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cn1
Show InChI InChI=1S/C19H23N5O2/c1-22-10-13(9-21-22)11-23-7-5-15(6-8-23)24-12-14-3-2-4-16(18(20)25)17(14)19(24)26/h2-4,9-10,15H,5-8,11-12H2,1H3,(H2,20,25)
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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138315
PNG
(US8877944, 19)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1S/C22H25N3O2/c1-15-5-2-3-6-16(15)13-24-11-9-18(10-12-24)25-14-17-7-4-8-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)
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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138310
PNG
(US8877944, 14)
Show SMILES Cn1cccc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1S/C20H24N4O2/c1-22-9-3-5-16(22)13-23-10-7-15(8-11-23)24-12-14-4-2-6-17(19(21)25)18(14)20(24)26/h2-6,9,15H,7-8,10-13H2,1H3,(H2,21,25)
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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138351
PNG
(US8877944, 101)
Show SMILES NC(=O)c1ccc(F)c2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
Show InChI InChI=1S/C20H24F3N3O2/c21-16-2-1-14(18(24)27)17-15(16)11-26(19(17)28)13-5-9-25(10-6-13)12-3-7-20(22,23)8-4-12/h1-2,12-13H,3-11H2,(H2,24,27)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138304
PNG
(US8877944, 6)
Show SMILES COC[C@H]1CC[C@@H](CC1)N1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O |r,wU:6.9,wD:3.2,(9.06,-.18,;7.52,-.18,;6.75,1.15,;5.21,1.15,;4.44,2.49,;2.9,2.49,;2.13,1.15,;2.9,-.18,;4.44,-.18,;.59,1.15,;-.18,-.18,;-1.72,-.18,;-2.49,1.15,;-1.72,2.49,;-.18,2.49,;-4.03,1.15,;-4.93,2.4,;-6.4,1.93,;-7.73,2.69,;-9.06,1.93,;-9.06,.38,;-7.73,-.38,;-7.73,-1.93,;-6.4,-2.69,;-9.06,-2.69,;-6.4,.38,;-4.93,-.09,;-4.16,-1.42,)|
Show InChI InChI=1S/C22H31N3O3/c1-28-14-15-5-7-17(8-6-15)24-11-9-18(10-12-24)25-13-16-3-2-4-19(21(23)26)20(16)22(25)27/h2-4,15,17-18H,5-14H2,1H3,(H2,23,26)/t15-,17-
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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138339
PNG
(US8877944, 43)
Show SMILES CCc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1
Show InChI InChI=1S/C23H27N3O2/c1-2-16-6-8-17(9-7-16)14-25-12-10-19(11-13-25)26-15-18-4-3-5-20(22(24)27)21(18)23(26)28/h3-9,19H,2,10-15H2,1H3,(H2,24,27)
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n/an/a 2.66E+3n/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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138319
PNG
(US8877944, 23)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccc(c4)C(F)(F)F)CC3)C(=O)c12
Show InChI InChI=1S/C22H22F3N3O2/c23-22(24,25)16-5-1-3-14(11-16)12-27-9-7-17(8-10-27)28-13-15-4-2-6-18(20(26)29)19(15)21(28)30/h1-6,11,17H,7-10,12-13H2,(H2,26,29)
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n/an/a 3.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138307
PNG
(US8877944, 11)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc(F)cc4)CC3)C(=O)c12
Show InChI InChI=1S/C21H22FN3O2/c22-16-6-4-14(5-7-16)12-24-10-8-17(9-11-24)25-13-15-2-1-3-18(20(23)26)19(15)21(25)27/h1-7,17H,8-13H2,(H2,23,26)
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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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138317
PNG
(US8877944, 21)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccc(Br)c4)CC3)C(=O)c12
Show InChI InChI=1S/C21H22BrN3O2/c22-16-5-1-3-14(11-16)12-24-9-7-17(8-10-24)25-13-15-4-2-6-18(20(23)26)19(15)21(25)27/h1-6,11,17H,7-10,12-13H2,(H2,23,26)
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n/an/a 4.42E+3n/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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138303
PNG
(US8877944, 5)
Show SMILES COC[C@H]1CC[C@H](CC1)N1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O |r,wU:6.9,3.2,(9.06,-.18,;7.52,-.18,;6.75,1.15,;5.21,1.15,;4.44,-.18,;2.9,-.18,;2.13,1.15,;2.9,2.49,;4.44,2.49,;.59,1.15,;-.18,-.18,;-1.72,-.18,;-2.49,1.15,;-1.72,2.49,;-.18,2.49,;-4.03,1.15,;-4.93,2.4,;-6.4,1.93,;-7.73,2.69,;-9.06,1.93,;-9.06,.38,;-7.73,-.38,;-7.73,-1.93,;-6.4,-2.69,;-9.06,-2.69,;-6.4,.38,;-4.93,-.09,;-4.16,-1.42,)|
Show InChI InChI=1S/C22H31N3O3/c1-28-14-15-5-7-17(8-6-15)24-11-9-18(10-12-24)25-13-16-3-2-4-19(21(23)26)20(16)22(25)27/h2-4,15,17-18H,5-14H2,1H3,(H2,23,26)/t15-,17+
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n/an/a 4.60E+3n/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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138338
PNG
(US8877944, 42)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccc(Cl)c4)CC3)C(=O)c12
Show InChI InChI=1S/C21H22ClN3O2/c22-16-5-1-3-14(11-16)12-24-9-7-17(8-10-24)25-13-15-4-2-6-18(20(23)26)19(15)21(25)27/h1-6,11,17H,7-10,12-13H2,(H2,23,26)
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n/an/a 5.31E+3n/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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138313
PNG
(US8877944, 17)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc(F)cc4F)CC3)C(=O)c12
Show InChI InChI=1S/C21H21F2N3O2/c22-15-5-4-13(18(23)10-15)11-25-8-6-16(7-9-25)26-12-14-2-1-3-17(20(24)27)19(14)21(26)28/h1-5,10,16H,6-9,11-12H2,(H2,24,27)
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n/an/a 5.77E+3n/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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138318
PNG
(US8877944, 22)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc(Br)cc4)CC3)C(=O)c12
Show InChI InChI=1S/C21H22BrN3O2/c22-16-6-4-14(5-7-16)12-24-10-8-17(9-11-24)25-13-15-2-1-3-18(20(23)26)19(15)21(25)27/h1-7,17H,8-13H2,(H2,23,26)
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n/an/a 5.99E+3n/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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138306
PNG
(US8877944, 10)
Show SMILES CN(C)c1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1
Show InChI InChI=1S/C23H28N4O2/c1-25(2)18-8-6-16(7-9-18)14-26-12-10-19(11-13-26)27-15-17-4-3-5-20(22(24)28)21(17)23(27)29/h3-9,19H,10-15H2,1-2H3,(H2,24,28)
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n/an/a 6.60E+3n/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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138314
PNG
(US8877944, 18)
Show SMILES Cc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1C
Show InChI InChI=1S/C23H27N3O2/c1-15-6-7-17(12-16(15)2)13-25-10-8-19(9-11-25)26-14-18-4-3-5-20(22(24)27)21(18)23(26)28/h3-7,12,19H,8-11,13-14H2,1-2H3,(H2,24,27)
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n/an/a 7.10E+3n/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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138321
PNG
(US8877944, 25)
Show SMILES Cc1cccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c1
Show InChI InChI=1S/C22H25N3O2/c1-15-4-2-5-16(12-15)13-24-10-8-18(9-11-24)25-14-17-6-3-7-19(21(23)26)20(17)22(25)27/h2-7,12,18H,8-11,13-14H2,1H3,(H2,23,26)
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n/an/a 9.89E+3n/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)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138302
PNG
(US8877944, 4)
Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)[C@H]3CC[C@H](CO)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(-5.63,-2.69,;-6.96,-1.93,;-8.29,-2.69,;-6.96,-.38,;-8.29,.38,;-8.29,1.93,;-6.96,2.69,;-5.63,1.93,;-4.16,2.4,;-3.26,1.15,;-1.72,1.15,;-.95,-.18,;.59,-.18,;1.36,1.15,;.59,2.49,;-.95,2.49,;2.9,1.15,;3.67,2.49,;5.21,2.49,;5.98,1.15,;7.52,1.15,;8.29,-.18,;5.21,-.18,;3.67,-.18,;-4.16,-.09,;-3.39,-1.42,;-5.63,.38,)|
Show InChI InChI=1S/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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138306
PNG
(US8877944, 10)
Show SMILES CN(C)c1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1
Show InChI InChI=1S/C23H28N4O2/c1-25(2)18-8-6-16(7-9-18)14-26-12-10-19(11-13-26)27-15-17-4-3-5-20(22(24)28)21(17)23(27)29/h3-9,19H,10-15H2,1-2H3,(H2,24,28)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138308
PNG
(US8877944, 12)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccccc4F)CC3)C(=O)c12
Show InChI InChI=1S/C21H22FN3O2/c22-18-7-2-1-4-14(18)12-24-10-8-16(9-11-24)25-13-15-5-3-6-17(20(23)26)19(15)21(25)27/h1-7,16H,8-13H2,(H2,23,26)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138311
PNG
(US8877944, 15)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)C(=O)c12
Show InChI InChI=1S/C22H22F3N3O2/c23-22(24,25)16-6-4-14(5-7-16)12-27-10-8-17(9-11-27)28-13-15-2-1-3-18(20(26)29)19(15)21(28)30/h1-7,17H,8-13H2,(H2,26,29)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138312
PNG
(US8877944, 16)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc5ccccc5n4)CC3)C(=O)c12
Show InChI InChI=1S/C24H24N4O2/c25-23(29)20-6-3-5-17-14-28(24(30)22(17)20)19-10-12-27(13-11-19)15-18-9-8-16-4-1-2-7-21(16)26-18/h1-9,19H,10-15H2,(H2,25,29)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138313
PNG
(US8877944, 17)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc(F)cc4F)CC3)C(=O)c12
Show InChI InChI=1S/C21H21F2N3O2/c22-15-5-4-13(18(23)10-15)11-25-8-6-16(7-9-25)26-12-14-2-1-3-17(20(24)27)19(14)21(26)28/h1-5,10,16H,6-9,11-12H2,(H2,24,27)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138314
PNG
(US8877944, 18)
Show SMILES Cc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1C
Show InChI InChI=1S/C23H27N3O2/c1-15-6-7-17(12-16(15)2)13-25-10-8-19(9-11-25)26-14-18-4-3-5-20(22(24)27)21(18)23(26)28/h3-7,12,19H,8-11,13-14H2,1-2H3,(H2,24,27)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138317
PNG
(US8877944, 21)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccc(Br)c4)CC3)C(=O)c12
Show InChI InChI=1S/C21H22BrN3O2/c22-16-5-1-3-14(11-16)12-24-9-7-17(8-10-24)25-13-15-4-2-6-18(20(23)26)19(15)21(25)27/h1-6,11,17H,7-10,12-13H2,(H2,23,26)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138318
PNG
(US8877944, 22)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc(Br)cc4)CC3)C(=O)c12
Show InChI InChI=1S/C21H22BrN3O2/c22-16-6-4-14(5-7-16)12-24-10-8-17(9-11-24)25-13-15-2-1-3-18(20(23)26)19(15)21(25)27/h1-7,17H,8-13H2,(H2,23,26)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3


(Mus musculus (Mouse))		BDBM138355
PNG
(US8877944, P1)
Show SMILES CN(C)c1ccc2C=c3cc4CCC[N+](CCCC(=O)N(C)CC(=O)Nc5ccc6[nH]c(=O)c7ccccc7c6c5)=c4cc3C(C)(C)c2c1 |c:43,t:7|
Show InChI InChI=1S/C41H43N5O3/c1-41(2)34-23-30(44(3)4)16-14-26(34)20-28-21-27-10-8-18-46(37(27)24-35(28)41)19-9-13-39(48)45(5)25-38(47)42-29-15-17-36-33(22-29)31-11-6-7-12-32(31)40(49)43-36/h6-7,11-12,14-17,20-24H,8-10,13,18-19,25H2,1-5H3,(H-,42,43,47,49)/p+1
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138321
PNG
(US8877944, 25)
Show SMILES Cc1cccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c1
Show InChI InChI=1S/C22H25N3O2/c1-15-4-2-5-16(12-15)13-24-10-8-18(9-11-24)25-14-17-6-3-7-19(21(23)26)20(17)22(25)27/h2-7,12,18H,8-11,13-14H2,1H3,(H2,23,26)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138339
PNG
(US8877944, 43)
Show SMILES CCc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1
Show InChI InChI=1S/C23H27N3O2/c1-2-16-6-8-17(9-7-16)14-25-12-10-19(11-13-25)26-15-18-4-3-5-20(22(24)27)21(18)23(26)28/h3-9,19H,2,10-15H2,1H3,(H2,24,27)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138301
PNG
(US8877944, 3)
Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)[C@@H]3CC[C@H](CO)CC3)C(=O)c12 |r,wU:16.16,19.20,(-5.63,-2.7,;-6.96,-1.93,;-8.29,-2.7,;-6.96,-.39,;-8.29,.39,;-8.29,1.93,;-6.96,2.7,;-5.63,1.93,;-4.16,2.4,;-3.26,1.16,;-1.72,1.16,;-.95,-.18,;.59,-.18,;1.36,1.16,;.59,2.49,;-.95,2.49,;2.9,1.16,;3.67,-.18,;5.21,-.18,;5.98,1.16,;7.52,1.16,;8.29,-.18,;5.21,2.49,;3.67,2.49,;-4.16,-.09,;-3.39,-1.42,;-5.63,.39,)|
Show InChI InChI=1S/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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138315
PNG
(US8877944, 19)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1S/C22H25N3O2/c1-15-5-2-3-6-16(15)13-24-11-9-18(10-12-24)25-14-17-7-4-8-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138355
PNG
(US8877944, P1)
Show SMILES CN(C)c1ccc2C=c3cc4CCC[N+](CCCC(=O)N(C)CC(=O)Nc5ccc6[nH]c(=O)c7ccccc7c6c5)=c4cc3C(C)(C)c2c1 |c:43,t:7|
Show InChI InChI=1S/C41H43N5O3/c1-41(2)34-23-30(44(3)4)16-14-26(34)20-28-21-27-10-8-18-46(37(27)24-35(28)41)19-9-13-39(48)45(5)25-38(47)42-29-15-17-36-33(22-29)31-11-6-7-12-32(31)40(49)43-36/h6-7,11-12,14-17,20-24H,8-10,13,18-19,25H2,1-5H3,(H-,42,43,47,49)/p+1
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Mus musculus (Mouse))		BDBM138355
PNG
(US8877944, P1)
Show SMILES CN(C)c1ccc2C=c3cc4CCC[N+](CCCC(=O)N(C)CC(=O)Nc5ccc6[nH]c(=O)c7ccccc7c6c5)=c4cc3C(C)(C)c2c1 |c:43,t:7|
Show InChI InChI=1S/C41H43N5O3/c1-41(2)34-23-30(44(3)4)16-14-26(34)20-28-21-27-10-8-18-46(37(27)24-35(28)41)19-9-13-39(48)45(5)25-38(47)42-29-15-17-36-33(22-29)31-11-6-7-12-32(31)40(49)43-36/h6-7,11-12,14-17,20-24H,8-10,13,18-19,25H2,1-5H3,(H-,42,43,47,49)/p+1
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138300
PNG
(US8877944, 2)
Show SMILES CO[C@H]1CC[C@@H](CC1)N1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O |r,wU:5.8,wD:2.1,(8.29,-.18,;7.52,1.16,;5.98,1.16,;5.21,2.49,;3.67,2.49,;2.9,1.16,;3.67,-.18,;5.21,-.18,;1.36,1.16,;.59,-.18,;-.95,-.18,;-1.72,1.16,;-.95,2.49,;.59,2.49,;-3.26,1.16,;-4.16,2.4,;-5.63,1.93,;-6.96,2.7,;-8.29,1.93,;-8.29,.39,;-6.96,-.39,;-6.96,-1.93,;-5.63,-2.7,;-8.29,-2.7,;-5.63,.39,;-4.16,-.09,;-3.39,-1.42,)|
Show InChI InChI=1S/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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138303
PNG
(US8877944, 5)
Show SMILES COC[C@H]1CC[C@H](CC1)N1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O |r,wU:6.9,3.2,(9.06,-.18,;7.52,-.18,;6.75,1.15,;5.21,1.15,;4.44,-.18,;2.9,-.18,;2.13,1.15,;2.9,2.49,;4.44,2.49,;.59,1.15,;-.18,-.18,;-1.72,-.18,;-2.49,1.15,;-1.72,2.49,;-.18,2.49,;-4.03,1.15,;-4.93,2.4,;-6.4,1.93,;-7.73,2.69,;-9.06,1.93,;-9.06,.38,;-7.73,-.38,;-7.73,-1.93,;-6.4,-2.69,;-9.06,-2.69,;-6.4,.38,;-4.93,-.09,;-4.16,-1.42,)|
Show InChI InChI=1S/C22H31N3O3/c1-28-14-15-5-7-17(8-6-15)24-11-9-18(10-12-24)25-13-16-3-2-4-19(21(23)26)20(16)22(25)27/h2-4,15,17-18H,5-14H2,1H3,(H2,23,26)/t15-,17+
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138304
PNG
(US8877944, 6)
Show SMILES COC[C@H]1CC[C@@H](CC1)N1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O |r,wU:6.9,wD:3.2,(9.06,-.18,;7.52,-.18,;6.75,1.15,;5.21,1.15,;4.44,2.49,;2.9,2.49,;2.13,1.15,;2.9,-.18,;4.44,-.18,;.59,1.15,;-.18,-.18,;-1.72,-.18,;-2.49,1.15,;-1.72,2.49,;-.18,2.49,;-4.03,1.15,;-4.93,2.4,;-6.4,1.93,;-7.73,2.69,;-9.06,1.93,;-9.06,.38,;-7.73,-.38,;-7.73,-1.93,;-6.4,-2.69,;-9.06,-2.69,;-6.4,.38,;-4.93,-.09,;-4.16,-1.42,)|
Show InChI InChI=1S/C22H31N3O3/c1-28-14-15-5-7-17(8-6-15)24-11-9-18(10-12-24)25-13-16-3-2-4-19(21(23)26)20(16)22(25)27/h2-4,15,17-18H,5-14H2,1H3,(H2,23,26)/t15-,17-
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138307
PNG
(US8877944, 11)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc(F)cc4)CC3)C(=O)c12
Show InChI InChI=1S/C21H22FN3O2/c22-16-6-4-14(5-7-16)12-24-10-8-17(9-11-24)25-13-15-2-1-3-18(20(23)26)19(15)21(25)27/h1-7,17H,8-13H2,(H2,23,26)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138319
PNG
(US8877944, 23)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccc(c4)C(F)(F)F)CC3)C(=O)c12
Show InChI InChI=1S/C22H22F3N3O2/c23-22(24,25)16-5-1-3-14(11-16)12-27-9-7-17(8-10-27)28-13-15-4-2-6-18(20(26)29)19(15)21(28)30/h1-6,11,17H,7-10,12-13H2,(H2,26,29)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138356
PNG
(US8877944, P3)
Show SMILES CN(C)c1ccc2C=c3cc4CCC[N+](CCCC(=O)NCCCCCCNCC(=O)Nc5ccc6[nH]c(=O)c7ccccc7c6c5)=c4cc3C(C)(C)c2c1 |c:49,t:7|
Show InChI InChI=1S/C46H54N6O3/c1-46(2)39-28-35(51(3)4)19-17-31(39)25-33-26-32-13-11-23-52(42(32)29-40(33)46)24-12-16-43(53)48-22-10-6-5-9-21-47-30-44(54)49-34-18-20-41-38(27-34)36-14-7-8-15-37(36)45(55)50-41/h7-8,14-15,17-20,25-29,47H,5-6,9-13,16,21-24,30H2,1-4H3,(H2-,48,49,50,53,54,55)/p+1
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138330
PNG
(US8877944, 34)
Show SMILES Cc1c(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cnn1C
Show InChI InChI=1S/C20H25N5O2/c1-13-15(10-22-23(13)2)11-24-8-6-16(7-9-24)25-12-14-4-3-5-17(19(21)26)18(14)20(25)27/h3-5,10,16H,6-9,11-12H2,1-2H3,(H2,21,26)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138338
PNG
(US8877944, 42)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccc(Cl)c4)CC3)C(=O)c12
Show InChI InChI=1S/C21H22ClN3O2/c22-16-5-1-3-14(11-16)12-24-9-7-17(8-10-24)25-13-15-4-2-6-18(20(23)26)19(15)21(25)27/h1-6,11,17H,7-10,12-13H2,(H2,23,26)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138299
PNG
(US8877944, 1)
Show SMILES CO[C@H]1CC[C@H](CC1)N1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O |r,wU:5.8,2.1,(8.29,-.18,;7.52,1.16,;5.98,1.16,;5.21,-.18,;3.67,-.18,;2.9,1.16,;3.67,2.49,;5.21,2.49,;1.36,1.16,;.59,-.18,;-.95,-.18,;-1.72,1.16,;-.95,2.49,;.59,2.49,;-3.26,1.16,;-4.16,2.4,;-5.63,1.93,;-6.96,2.7,;-8.29,1.93,;-8.29,.39,;-6.96,-.39,;-6.96,-1.93,;-5.63,-2.7,;-8.29,-2.7,;-5.63,.39,;-4.16,-.09,;-3.39,-1.42,)|
Show InChI InChI=1S/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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138309
PNG
(US8877944, 13)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccc(F)c4)CC3)C(=O)c12
Show InChI InChI=1S/C21H22FN3O2/c22-16-5-1-3-14(11-16)12-24-9-7-17(8-10-24)25-13-15-4-2-6-18(20(23)26)19(15)21(25)27/h1-6,11,17H,7-10,12-13H2,(H2,23,26)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138310
PNG
(US8877944, 14)
Show SMILES Cn1cccc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1S/C20H24N4O2/c1-22-9-3-5-16(22)13-23-10-7-15(8-11-23)24-12-14-4-2-6-17(19(21)25)18(14)20(24)26/h2-6,9,15H,7-8,10-13H2,1H3,(H2,21,25)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%