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23 similar compounds to monomer 50309916

Compile data set for download or QSAR
Wt: 383.8
BDBM138338
Wt: 377.4
BDBM138339
Wt: 417.4
BDBM138311
Wt: 377.4
BDBM138314
Wt: 363.4
BDBM138315
Wt: 446.5
BDBM138323
Wt: 363.4
BDBM138321
Wt: 367.4
BDBM138307
Wt: 391.5
BDBM138334
Wt: 317.3
BDBM138347
Wt: 367.4
BDBM138308
Wt: 367.4
BDBM138309
Wt: 428.3
BDBM138318
Wt: 428.3
BDBM138317
Wt: 417.4
BDBM138319
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 138338,138339,138311,138314,138315,138323,138321,138307,138334,138347,138308,138309,138318,138317,138319   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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n/an/an/a 40n/an/an/an/an/a



Nerviano Medical Sciences srl

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


(Homo sapiens (Human))
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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PubMed
n/an/an/a>1.00E+4n/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
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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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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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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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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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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n/an/an/a 50n/an/an/an/an/a



Nerviano Medical Sciences srl

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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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences srl

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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n/an/an/a 50n/an/an/an/an/a



Nerviano Medical Sciences srl

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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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences srl

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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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences srl

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 srl

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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n/an/an/a 33n/an/an/an/an/a



Nerviano Medical Sciences srl

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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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences srl

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 srl

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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n/an/a 3.95E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

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 srl

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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n/an/a 1.10E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

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 srl

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 srl

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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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 srl

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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n/an/a 320n/an/an/an/an/an/a



Nerviano Medical Sciences srl

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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n/an/a 260n/an/an/an/an/an/a



Nerviano Medical Sciences srl

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 srl

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 srl

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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n/an/a 410n/an/an/an/an/an/a



Nerviano Medical Sciences srl

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


(Homo sapiens (Human))
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/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
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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n/an/an/a 42n/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
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/an/a 46n/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
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/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
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/an/a 53n/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
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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n/an/an/a 54n/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
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 6.00E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
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 srl

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
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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n/an/a 1.10E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
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 9.90E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
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/an/a 113n/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
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/an/a 2.43E+3n/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
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/an/a 2.29E+3n/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
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/an/a 8.71E+3n/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
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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n/an/an/a>1.00E+4n/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
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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antibodypedia
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n/an/an/a 3.63E+3n/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
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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US Patent
n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences srl

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