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Patent code US9598396

Compile Data Set for Download or QSAR
Found 39 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


(Homo sapiens (human))
BDBM301927
PNG
(US9598396, Compound 4)
Show SMILES CC(Cc1cccc(c1)C#N)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C24H21N3O/c1-24(15-26,13-16-5-4-6-17(11-16)14-25)18-9-10-20-19-7-2-3-8-21(19)23(28)27-22(20)12-18/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,27,28)
PDB
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US Patent
n/an/a 0.933n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the a...


US Patent US9598396 (2017)

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


(Homo sapiens (human))
BDBM301928
PNG
(US9598396, Compound 5)
Show SMILES CC(Cc1cccc(F)c1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C23H21FN2O/c1-23(14-25,13-15-5-4-6-17(24)11-15)16-9-10-19-18-7-2-3-8-20(18)22(27)26-21(19)12-16/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,26,27)
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n/an/a 0.977n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the a...


US Patent US9598396 (2017)

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


(Homo sapiens (human))
BDBM301932
PNG
(US9598396, Compound 7)
Show SMILES CC(Cc1cccc(n1)C#N)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C23H20N4O/c1-23(14-25,12-16-5-4-6-17(13-24)26-16)15-9-10-19-18-7-2-3-8-20(18)22(28)27-21(19)11-15/h4-6,9-11H,2-3,7-8,12H2,1H3,(H,27,28)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the a...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301932
PNG
(US9598396, Compound 7)
Show SMILES CC(Cc1cccc(n1)C#N)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C23H20N4O/c1-23(14-25,12-16-5-4-6-17(13-24)26-16)15-9-10-19-18-7-2-3-8-20(18)22(28)27-21(19)11-15/h4-6,9-11H,2-3,7-8,12H2,1H3,(H,27,28)
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Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301923
PNG
(US9598396, Compound 1)
Show SMILES CC(Cc1ccccc1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C23H22N2O/c1-23(15-24,14-16-7-3-2-4-8-16)17-11-12-19-18-9-5-6-10-20(18)22(26)25-21(19)13-17/h2-4,7-8,11-13H,5-6,9-10,14H2,1H3,(H,25,26)
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n/an/a 14.1n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

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


(Homo sapiens (human))
BDBM301929
PNG
(US9598396, Compound 5a)
Show SMILES C[C@](Cc1cccc(F)c1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C23H21FN2O/c1-23(14-25,13-15-5-4-6-17(24)11-15)16-9-10-19-18-7-2-3-8-20(18)22(27)26-21(19)12-16/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,26,27)/t23-/m0/s1
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n/an/a 15.8n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the a...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301927
PNG
(US9598396, Compound 4)
Show SMILES CC(Cc1cccc(c1)C#N)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C24H21N3O/c1-24(15-26,13-16-5-4-6-17(11-16)14-25)18-9-10-20-19-7-2-3-8-21(19)23(28)27-22(20)12-18/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,27,28)
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n/an/a 17.4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301931
PNG
(US9598396, Compound 6)
Show SMILES COc1cc(OC)nc(CC(C)(C#N)c2ccc3c4CCCCc4c(=O)[nH]c3c2)n1
Show InChI InChI=1S/C23H24N4O3/c1-23(13-24,12-19-26-20(29-2)11-21(27-19)30-3)14-8-9-16-15-6-4-5-7-17(15)22(28)25-18(16)10-14/h8-11H,4-7,12H2,1-3H3,(H,25,28)
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n/an/a 19.1n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301928
PNG
(US9598396, Compound 5)
Show SMILES CC(Cc1cccc(F)c1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C23H21FN2O/c1-23(14-25,13-15-5-4-6-17(24)11-15)16-9-10-19-18-7-2-3-8-20(18)22(27)26-21(19)12-16/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,26,27)
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n/an/a 19.5n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301926
PNG
(US9598396, Compound 3)
Show SMILES C[C@@](Cc1ccccc1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C23H22N2O/c1-23(15-24,14-16-7-3-2-4-8-16)17-11-12-19-18-9-5-6-10-20(18)22(26)25-21(19)13-17/h2-4,7-8,11-13H,5-6,9-10,14H2,1H3,(H,25,26)/t23-/m1/s1
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n/an/a 33.1n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

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


(Homo sapiens (human))
BDBM301940
PNG
(US9598396, Compound 15)
Show SMILES CC(Cc1cccc(CO)c1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C24H24N2O2/c1-24(15-25,13-16-5-4-6-17(11-16)14-27)18-9-10-20-19-7-2-3-8-21(19)23(28)26-22(20)12-18/h4-6,9-12,27H,2-3,7-8,13-14H2,1H3,(H,26,28)
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n/an/a 33.1n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the a...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301930
PNG
(US9598396, Compound 5b)
Show SMILES C[C@@](Cc1cccc(F)c1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C23H21FN2O/c1-23(14-25,13-15-5-4-6-17(24)11-15)16-9-10-19-18-7-2-3-8-20(18)22(27)26-21(19)12-16/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,26,27)/t23-/m1/s1
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n/an/a 33.9n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301936
PNG
(US9598396, Compound 11)
Show SMILES COc1cccc(CC(C)(C#N)c2ccc3c4CCCCc4c(=O)[nH]c3c2)c1
Show InChI InChI=1S/C24H24N2O2/c1-24(15-25,14-16-6-5-7-18(12-16)28-2)17-10-11-20-19-8-3-4-9-21(19)23(27)26-22(20)13-17/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,26,27)
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Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

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


(Homo sapiens (human))
BDBM301930
PNG
(US9598396, Compound 5b)
Show SMILES C[C@@](Cc1cccc(F)c1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C23H21FN2O/c1-23(14-25,13-15-5-4-6-17(24)11-15)16-9-10-19-18-7-2-3-8-20(18)22(27)26-21(19)12-16/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,26,27)/t23-/m1/s1
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n/an/a 36.3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the a...


US Patent US9598396 (2017)

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


(Homo sapiens (human))
BDBM301923
PNG
(US9598396, Compound 1)
Show SMILES CC(Cc1ccccc1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C23H22N2O/c1-23(15-24,14-16-7-3-2-4-8-16)17-11-12-19-18-9-5-6-10-20(18)22(26)25-21(19)13-17/h2-4,7-8,11-13H,5-6,9-10,14H2,1H3,(H,25,26)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the a...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301924
PNG
(US9598396, Compound 2)
Show SMILES C[C@](Cc1ccccc1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C23H22N2O/c1-23(15-24,14-16-7-3-2-4-8-16)17-11-12-19-18-9-5-6-10-20(18)22(26)25-21(19)13-17/h2-4,7-8,11-13H,5-6,9-10,14H2,1H3,(H,25,26)/t23-/m0/s1
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n/an/a 37.2n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301942
PNG
(US9598396, Compound 16)
Show SMILES CC(Cc1cccc(CN)c1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C24H25N3O/c1-24(15-26,13-16-5-4-6-17(11-16)14-25)18-9-10-20-19-7-2-3-8-21(19)23(28)27-22(20)12-18/h4-6,9-12H,2-3,7-8,13-14,25H2,1H3,(H,27,28)
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Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301929
PNG
(US9598396, Compound 5a)
Show SMILES C[C@](Cc1cccc(F)c1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C23H21FN2O/c1-23(14-25,13-15-5-4-6-17(24)11-15)16-9-10-19-18-7-2-3-8-20(18)22(27)26-21(19)12-16/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,26,27)/t23-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301940
PNG
(US9598396, Compound 15)
Show SMILES CC(Cc1cccc(CO)c1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C24H24N2O2/c1-24(15-25,13-16-5-4-6-17(11-16)14-27)18-9-10-20-19-7-2-3-8-21(19)23(28)26-22(20)12-18/h4-6,9-12,27H,2-3,7-8,13-14H2,1H3,(H,26,28)
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n/an/a 40.7n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

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


(Homo sapiens (human))
BDBM301938
PNG
(US9598396, Compound 13)
Show SMILES Cn1c(CC(C)(C#N)c2ccc3c4CCCCc4c(=O)[nH]c3c2)nc2ccccc12
Show InChI InChI=1S/C25H24N4O/c1-25(15-26,14-23-27-20-9-5-6-10-22(20)29(23)2)16-11-12-18-17-7-3-4-8-19(17)24(30)28-21(18)13-16/h5-6,9-13H,3-4,7-8,14H2,1-2H3,(H,28,30)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the a...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301938
PNG
(US9598396, Compound 13)
Show SMILES Cn1c(CC(C)(C#N)c2ccc3c4CCCCc4c(=O)[nH]c3c2)nc2ccccc12
Show InChI InChI=1S/C25H24N4O/c1-25(15-26,14-23-27-20-9-5-6-10-22(20)29(23)2)16-11-12-18-17-7-3-4-8-19(17)24(30)28-21(18)13-16/h5-6,9-13H,3-4,7-8,14H2,1-2H3,(H,28,30)
PDB

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n/an/a 42.7n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301937
PNG
(US9598396, Compound 12)
Show SMILES Cn1nc(CC(C)(C#N)c2ccc3c4CCCCc4c(=O)[nH]c3c2)c2ccccc12
Show InChI InChI=1S/C25H24N4O/c1-25(15-26,14-22-20-9-5-6-10-23(20)29(2)28-22)16-11-12-18-17-7-3-4-8-19(17)24(30)27-21(18)13-16/h5-6,9-13H,3-4,7-8,14H2,1-2H3,(H,27,30)
PDB

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n/an/a 42.7n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

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


(Homo sapiens (human))
BDBM301945
PNG
(US9598396, Compound 17)
Show SMILES CC(CCOc1ccc(cc1)C#N)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C25H23N3O2/c1-25(16-27,12-13-30-19-9-6-17(15-26)7-10-19)18-8-11-21-20-4-2-3-5-22(20)24(29)28-23(21)14-18/h6-11,14H,2-5,12-13H2,1H3,(H,28,29)
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n/an/a 44.7n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the a...


US Patent US9598396 (2017)

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


(Homo sapiens (human))
BDBM301937
PNG
(US9598396, Compound 12)
Show SMILES Cn1nc(CC(C)(C#N)c2ccc3c4CCCCc4c(=O)[nH]c3c2)c2ccccc12
Show InChI InChI=1S/C25H24N4O/c1-25(15-26,14-22-20-9-5-6-10-23(20)29(2)28-22)16-11-12-18-17-7-3-4-8-19(17)24(30)27-21(18)13-16/h5-6,9-13H,3-4,7-8,14H2,1-2H3,(H,27,30)
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n/an/a 45.7n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the a...


US Patent US9598396 (2017)

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


(Homo sapiens (human))
BDBM301924
PNG
(US9598396, Compound 2)
Show SMILES C[C@](Cc1ccccc1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C23H22N2O/c1-23(15-24,14-16-7-3-2-4-8-16)17-11-12-19-18-9-5-6-10-20(18)22(26)25-21(19)13-17/h2-4,7-8,11-13H,5-6,9-10,14H2,1H3,(H,25,26)/t23-/m0/s1
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n/an/a 46.8n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the a...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301933
PNG
(US9598396, Compound 8)
Show SMILES CC(Cc1cccc(Cl)c1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C23H21ClN2O/c1-23(14-25,13-15-5-4-6-17(24)11-15)16-9-10-19-18-7-2-3-8-20(18)22(27)26-21(19)12-16/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,26,27)
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Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301945
PNG
(US9598396, Compound 17)
Show SMILES CC(CCOc1ccc(cc1)C#N)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C25H23N3O2/c1-25(16-27,12-13-30-19-9-6-17(15-26)7-10-19)18-8-11-21-20-4-2-3-5-22(20)24(29)28-23(21)14-18/h6-11,14H,2-5,12-13H2,1H3,(H,28,29)
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Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

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


(Homo sapiens (human))
BDBM301931
PNG
(US9598396, Compound 6)
Show SMILES COc1cc(OC)nc(CC(C)(C#N)c2ccc3c4CCCCc4c(=O)[nH]c3c2)n1
Show InChI InChI=1S/C23H24N4O3/c1-23(13-24,12-19-26-20(29-2)11-21(27-19)30-3)14-8-9-16-15-6-4-5-7-17(15)22(28)25-18(16)10-14/h8-11H,4-7,12H2,1-3H3,(H,25,28)
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n/an/a 53.7n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the a...


US Patent US9598396 (2017)

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


(Homo sapiens (human))
BDBM301926
PNG
(US9598396, Compound 3)
Show SMILES C[C@@](Cc1ccccc1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C23H22N2O/c1-23(15-24,14-16-7-3-2-4-8-16)17-11-12-19-18-9-5-6-10-20(18)22(26)25-21(19)13-17/h2-4,7-8,11-13H,5-6,9-10,14H2,1H3,(H,25,26)/t23-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the a...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301935
PNG
(US9598396, Compound 10)
Show SMILES CC(Cc1cccc(OC(F)(F)F)c1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C24H21F3N2O2/c1-23(14-28,13-15-5-4-6-17(11-15)31-24(25,26)27)16-9-10-19-18-7-2-3-8-20(18)22(30)29-21(19)12-16/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,29,30)
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Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

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


(Homo sapiens (human))
BDBM301934
PNG
(US9598396, Compound 9)
Show SMILES CC(Cc1cc(Cl)nc(Cl)c1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C22H19Cl2N3O/c1-22(12-25,11-13-8-19(23)27-20(24)9-13)14-6-7-16-15-4-2-3-5-17(15)21(28)26-18(16)10-14/h6-10H,2-5,11H2,1H3,(H,26,28)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the a...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301939
PNG
(US9598396, Compound 14)
Show SMILES Cn1c(CC(C)(C#N)c2ccc3c4CCCCc4c(=O)[nH]c3c2)nc2ccccc12
Show InChI InChI=1S/C25H24N4O/c1-25(15-26,14-23-27-20-9-5-6-10-22(20)29(23)2)16-11-12-18-17-7-3-4-8-19(17)24(30)28-21(18)13-16/h5-6,9-13H,3-4,7-8,14H2,1-2H3,(H,28,30)
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Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301946
PNG
(US9598396, Compound 19)
Show SMILES CN(Cc1ccc(cc1)C#N)CC(C)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C26H26N4O/c1-26(16-28,17-30(2)15-19-9-7-18(14-27)8-10-19)20-11-12-22-21-5-3-4-6-23(21)25(31)29-24(22)13-20/h7-13H,3-6,15,17H2,1-2H3,(H,29,31)
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Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

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


(Homo sapiens (human))
BDBM301933
PNG
(US9598396, Compound 8)
Show SMILES CC(Cc1cccc(Cl)c1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C23H21ClN2O/c1-23(14-25,13-15-5-4-6-17(24)11-15)16-9-10-19-18-7-2-3-8-20(18)22(27)26-21(19)12-16/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,26,27)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the a...


US Patent US9598396 (2017)

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


(Homo sapiens (human))
BDBM301936
PNG
(US9598396, Compound 11)
Show SMILES COc1cccc(CC(C)(C#N)c2ccc3c4CCCCc4c(=O)[nH]c3c2)c1
Show InChI InChI=1S/C24H24N2O2/c1-24(15-25,14-16-6-5-7-18(12-16)28-2)17-10-11-20-19-8-3-4-9-21(19)23(27)26-22(20)13-17/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,26,27)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the a...


US Patent US9598396 (2017)

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


(Homo sapiens (human))
BDBM301939
PNG
(US9598396, Compound 14)
Show SMILES Cn1c(CC(C)(C#N)c2ccc3c4CCCCc4c(=O)[nH]c3c2)nc2ccccc12
Show InChI InChI=1S/C25H24N4O/c1-25(15-26,14-23-27-20-9-5-6-10-22(20)29(23)2)16-11-12-18-17-7-3-4-8-19(17)24(30)28-21(18)13-16/h5-6,9-13H,3-4,7-8,14H2,1-2H3,(H,28,30)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the a...


US Patent US9598396 (2017)

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


(Homo sapiens (human))
BDBM301935
PNG
(US9598396, Compound 10)
Show SMILES CC(Cc1cccc(OC(F)(F)F)c1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C24H21F3N2O2/c1-23(14-28,13-15-5-4-6-17(11-15)31-24(25,26)27)16-9-10-19-18-7-2-3-8-20(18)22(30)29-21(19)12-16/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,29,30)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the a...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM301934
PNG
(US9598396, Compound 9)
Show SMILES CC(Cc1cc(Cl)nc(Cl)c1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C22H19Cl2N3O/c1-22(12-25,11-13-8-19(23)27-20(24)9-13)14-6-7-16-15-4-2-3-5-17(15)21(28)26-18(16)10-14/h6-10H,2-5,11H2,1H3,(H,26,28)
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Janssen Pharmaceutica NV

US Patent


Assay Description
In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, ...


US Patent US9598396 (2017)

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


(Homo sapiens (human))
BDBM301942
PNG
(US9598396, Compound 16)
Show SMILES CC(Cc1cccc(CN)c1)(C#N)c1ccc2c3CCCCc3c(=O)[nH]c2c1
Show InChI InChI=1S/C24H25N3O/c1-24(15-26,13-16-5-4-6-17(11-16)14-25)18-9-10-20-19-7-2-3-8-21(19)23(28)27-22(20)12-18/h4-6,9-12H,2-3,7-8,13-14,25H2,1H3,(H,27,28)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the a...


US Patent US9598396 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%