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Patent code US9181266

Compile Data Set for Download or QSAR

Found 321 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))		BDBM50439799
PNG
(CHEMBL2419698 | US9181266, 13)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2cccs2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C27H29FN4O4S/c28-20-5-3-18(4-6-20)26(34)19-7-10-31(11-8-19)16-25(33)32(14-21-2-1-13-37-21)15-24-29-23-9-12-36-17-22(23)27(35)30-24/h1-6,13,19H,7-12,14-17H2,(H,29,30,35)
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n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191161
PNG
(US9181266, 27)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC#C)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C25H27FN4O4/c1-2-10-30(14-22-27-21-9-13-34-16-20(21)25(33)28-22)23(31)15-29-11-7-18(8-12-29)24(32)17-3-5-19(26)6-4-17/h1,3-6,18H,7-16H2,(H,27,28,33)
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n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191165
PNG
(US9181266, 32)
Show SMILES CC[C@@H](C)N(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
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n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191169
PNG
(US9181266, 37)
Show SMILES CC(N(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1)c1ccc(F)cc1F
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n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191179
PNG
(US9181266, 48)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2nc3CCOCc3c(=O)[nH]2)CC(F)(F)F)CC1
Show InChI InChI=1S/C24H26F4N4O4/c25-17-3-1-15(2-4-17)22(34)16-5-8-31(9-6-16)12-21(33)32(14-24(26,27)28)11-20-29-19-7-10-36-13-18(19)23(35)30-20/h1-4,16H,5-14H2,(H,29,30,35)
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n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191222
PNG
(US9181266, 91)
Show SMILES O=C(CN1CCC(CC1)C(=O)c1ccc2OCCc2c1)NCc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C24H28N4O5/c29-22(25-12-21-26-19-6-9-32-14-18(19)24(31)27-21)13-28-7-3-15(4-8-28)23(30)17-1-2-20-16(11-17)5-10-33-20/h1-2,11,15H,3-10,12-14H2,(H,25,29)(H,26,27,31)
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n/an/a 1.67E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191228
PNG
(US9181266, 97)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2cc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C24H29N3O5/c1-31-20-4-2-16(3-5-20)23(29)17-6-9-27(10-7-17)14-22(28)25-13-19-12-18-8-11-32-15-21(18)24(30)26-19/h2-5,12,17H,6-11,13-15H2,1H3,(H,25,28)(H,26,30)
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n/an/a 7.50E+3n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM50439791
PNG
(CHEMBL2419706 | US9181266, 5)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC2CC2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C27H34N4O5/c1-35-21-6-4-19(5-7-21)26(33)20-8-11-30(12-9-20)16-25(32)31(14-18-2-3-18)15-24-28-23-10-13-36-17-22(23)27(34)29-24/h4-7,18,20H,2-3,8-17H2,1H3,(H,28,29,34)
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n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM191148
PNG
(US9181266, 10)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCCCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C23H27FN4O3/c24-17-7-5-15(6-8-17)22(30)16-9-11-28(12-10-16)14-21(29)25-13-20-26-19-4-2-1-3-18(19)23(31)27-20/h5-8,16H,1-4,9-14H2,(H,25,29)(H,26,27,31)
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n/an/a 700n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM191155
PNG
(US9181266, 18)
Show SMILES COc1cccc(CN(Cc2nc3CCOCc3c(=O)[nH]2)C(=O)CN2CCC(CC2)C(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C30H33FN4O5/c1-39-24-4-2-3-20(15-24)16-35(17-27-32-26-11-14-40-19-25(26)30(38)33-27)28(36)18-34-12-9-22(10-13-34)29(37)21-5-7-23(31)8-6-21/h2-8,15,22H,9-14,16-19H2,1H3,(H,32,33,38)
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n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM191160
PNG
(US9181266, 25)
Show SMILES CC[C@H](C)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
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n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM191170
PNG
(US9181266, 39)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2nc3CCOCc3c(=O)[nH]2)Cc2ccccc2F)CC1
Show InChI InChI=1S/C29H30F2N4O4/c30-22-7-5-19(6-8-22)28(37)20-9-12-34(13-10-20)17-27(36)35(15-21-3-1-2-4-24(21)31)16-26-32-25-11-14-39-18-23(25)29(38)33-26/h1-8,20H,9-18H2,(H,32,33,38)
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n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM191185
PNG
(US9181266, 54)
Show SMILES COCCN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C26H34N4O6/c1-34-14-12-30(15-23-27-22-9-13-36-17-21(22)26(33)28-23)24(31)16-29-10-7-19(8-11-29)25(32)18-3-5-20(35-2)6-4-18/h3-6,19H,7-17H2,1-2H3,(H,27,28,33)
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n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM191216
PNG
(US9181266, 85)
Show SMILES O=C(CN1CCC(CC1)C(=O)c1ccc(OCC2CC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C26H32N4O5/c31-24(27-13-23-28-22-9-12-34-16-21(22)26(33)29-23)14-30-10-7-19(8-11-30)25(32)18-3-5-20(6-4-18)35-15-17-1-2-17/h3-6,17,19H,1-2,7-16H2,(H,27,31)(H,28,29,33)
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n/an/a 1.97E+3n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50439791
PNG
(CHEMBL2419706 | US9181266, 5)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC2CC2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C27H34N4O5/c1-35-21-6-4-19(5-7-21)26(33)20-8-11-30(12-9-20)16-25(32)31(14-18-2-3-18)15-24-28-23-10-13-36-17-22(23)27(34)29-24/h4-7,18,20H,2-3,8-17H2,1H3,(H,28,29,34)
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n/an/a 15.5n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM191150
PNG
(US9181266, 12)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc(C)c(C)c(=O)[nH]2)CC1
Show InChI InChI=1S/C22H28N4O4/c1-14-15(2)24-19(25-22(14)29)12-23-20(27)13-26-10-8-17(9-11-26)21(28)16-4-6-18(30-3)7-5-16/h4-7,17H,8-13H2,1-3H3,(H,23,27)(H,24,25,29)
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n/an/a 40n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50439799
PNG
(CHEMBL2419698 | US9181266, 13)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2cccs2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C27H29FN4O4S/c28-20-5-3-18(4-6-20)26(34)19-7-10-31(11-8-19)16-25(33)32(14-21-2-1-13-37-21)15-24-29-23-9-12-36-17-22(23)27(35)30-24/h1-6,13,19H,7-12,14-17H2,(H,29,30,35)
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n/an/a 15.4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM191153
PNG
(US9181266, 16)
Show SMILES COc1ccc(CN(Cc2nc3CCOCc3c(=O)[nH]2)C(=O)CN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C30H33FN4O5/c1-39-24-8-2-20(3-9-24)16-35(17-27-32-26-12-15-40-19-25(26)30(38)33-27)28(36)18-34-13-10-22(11-14-34)29(37)21-4-6-23(31)7-5-21/h2-9,22H,10-19H2,1H3,(H,32,33,38)
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n/an/a 66n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM191175
PNG
(US9181266, 44)
Show SMILES FCCN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H28F2N4O4/c25-8-11-30(13-21-27-20-7-12-34-15-19(20)24(33)28-21)22(31)14-29-9-5-17(6-10-29)23(32)16-1-3-18(26)4-2-16/h1-4,17H,5-15H2,(H,27,28,33)
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n/an/a 72n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM191177
PNG
(US9181266, 46)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2ccc(s2)C#N)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C28H28FN5O4S/c29-20-3-1-18(2-4-20)27(36)19-7-10-33(11-8-19)16-26(35)34(14-22-6-5-21(13-30)39-22)15-25-31-24-9-12-38-17-23(24)28(37)32-25/h1-6,19H,7-12,14-17H2,(H,31,32,37)
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n/an/a 53n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM191180
PNG
(US9181266, 49)
Show SMILES CC(N(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1)c1cccs1
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n/an/a 47.5n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM191192
PNG
(US9181266, 61)
Show SMILES Fc1ccc2C(=O)C3(Cc2c1)CCN(CC(=O)NCc1nc2CCOCc2c(=O)[nH]1)CC3
Show InChI InChI=1S/C23H25FN4O4/c24-15-1-2-16-14(9-15)10-23(21(16)30)4-6-28(7-5-23)12-20(29)25-11-19-26-18-3-8-32-13-17(18)22(31)27-19/h1-2,9H,3-8,10-13H2,(H,25,29)(H,26,27,31)
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n/an/a 25n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM191216
PNG
(US9181266, 85)
Show SMILES O=C(CN1CCC(CC1)C(=O)c1ccc(OCC2CC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C26H32N4O5/c31-24(27-13-23-28-22-9-12-34-16-21(22)26(33)29-23)14-30-10-7-19(8-11-30)25(32)18-3-5-20(6-4-18)35-15-17-1-2-17/h3-6,17,19H,1-2,7-16H2,(H,27,31)(H,28,29,33)
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n/an/a 23n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM191217
PNG
(US9181266, 86)
Show SMILES O=C(CN1CCC(CC1)C(=O)c1ccc(OCC2CCC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C27H34N4O5/c32-25(28-14-24-29-23-10-13-35-17-22(23)27(34)30-24)15-31-11-8-20(9-12-31)26(33)19-4-6-21(7-5-19)36-16-18-2-1-3-18/h4-7,18,20H,1-3,8-17H2,(H,28,32)(H,29,30,34)
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n/an/a 30n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM191224
PNG
(US9181266, 93)
Show SMILES COc1ccc(cc1C)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C24H30N4O5/c1-15-11-17(3-4-20(15)32-2)23(30)16-5-8-28(9-6-16)13-22(29)25-12-21-26-19-7-10-33-14-18(19)24(31)27-21/h3-4,11,16H,5-10,12-14H2,1-2H3,(H,25,29)(H,26,27,31)
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n/an/a 33n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM191228
PNG
(US9181266, 97)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2cc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C24H29N3O5/c1-31-20-4-2-16(3-5-20)23(29)17-6-9-27(10-7-17)14-22(28)25-13-19-12-18-8-11-32-15-21(18)24(30)26-19/h2-5,12,17H,6-11,13-15H2,1H3,(H,25,28)(H,26,30)
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n/an/a 100n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM191151
PNG
(US9181266, 14)
Show SMILES CC(C)(C)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H35FN4O4/c1-27(2,3)17-32(14-23-29-22-10-13-36-16-21(22)26(35)30-23)24(33)15-31-11-8-19(9-12-31)25(34)18-4-6-20(28)7-5-18/h4-7,19H,8-17H2,1-3H3,(H,29,30,35)
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n/an/a 20n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM191155
PNG
(US9181266, 18)
Show SMILES COc1cccc(CN(Cc2nc3CCOCc3c(=O)[nH]2)C(=O)CN2CCC(CC2)C(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C30H33FN4O5/c1-39-24-4-2-3-20(15-24)16-35(17-27-32-26-11-14-40-19-25(26)30(38)33-27)28(36)18-34-12-9-22(10-13-34)29(37)21-5-7-23(31)8-6-21/h2-8,15,22H,9-14,16-19H2,1H3,(H,32,33,38)
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n/an/a 23n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM50439797
PNG
(CHEMBL2419700 | US9181266, 22)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2ccccn2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C28H30FN5O4/c29-21-6-4-19(5-7-21)27(36)20-8-12-33(13-9-20)17-26(35)34(15-22-3-1-2-11-30-22)16-25-31-24-10-14-38-18-23(24)28(37)32-25/h1-7,11,20H,8-10,12-18H2,(H,31,32,37)
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n/an/a 31n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM191162
PNG
(US9181266, 28)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(C[C@@H]2CCCO2)Cc2nc3CCOCc3c(=O)[nH]2)CC1 |r|
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n/an/a 10n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM50439793
PNG
(CHEMBL2419704 | US9181266, 30)
Show SMILES CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H27FN4O4/c1-27(12-20-25-19-8-11-32-14-18(19)23(31)26-20)21(29)13-28-9-6-16(7-10-28)22(30)15-2-4-17(24)5-3-15/h2-5,16H,6-14H2,1H3,(H,25,26,31)
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n/an/a 57n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM191168
PNG
(US9181266, 36)
Show SMILES C[C@@H](N(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1)c1ccc(F)cc1 |r|
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n/an/a 25n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM191173
PNG
(US9181266, 42)
Show SMILES C[C@@H](C1CC1)N(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
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n/an/a 10n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM191180
PNG
(US9181266, 49)
Show SMILES CC(N(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1)c1cccs1
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n/an/a 16.5n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM191187
PNG
(US9181266, 56)
Show SMILES COc1ccc(cc1)-c1nnc(o1)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C24H28N6O5/c1-33-17-4-2-15(3-5-17)23-28-29-24(35-23)16-6-9-30(10-7-16)13-21(31)25-12-20-26-19-8-11-34-14-18(19)22(32)27-20/h2-5,16H,6-14H2,1H3,(H,25,31)(H,26,27,32)
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n/an/a 89n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM191190
PNG
(US9181266, 59)
Show SMILES O=C(CN1CCC(CC1)n1cc(cn1)-c1ccccc1)NCc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C24H28N6O3/c31-23(25-13-22-27-21-8-11-33-16-20(21)24(32)28-22)15-29-9-6-19(7-10-29)30-14-18(12-26-30)17-4-2-1-3-5-17/h1-5,12,14,19H,6-11,13,15-16H2,(H,25,31)(H,27,28,32)
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n/an/a 188n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM191206
PNG
(US9181266, 75)
Show SMILES FC(F)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H27F5N4O4/c26-20(27)11-34(12-21-31-19-7-10-38-14-18(19)24(37)32-21)22(35)13-33-8-5-16(6-9-33)23(36)15-1-3-17(4-2-15)25(28,29)30/h1-4,16,20H,5-14H2,(H,31,32,37)
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n/an/a 17n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM191210
PNG
(US9181266, 79)
Show SMILES O=C(CN1CCC(CC1)C(=O)N1CCc2ccccc2C1)NCc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C25H31N5O4/c31-23(26-13-22-27-21-8-12-34-16-20(21)24(32)28-22)15-29-9-5-18(6-10-29)25(33)30-11-7-17-3-1-2-4-19(17)14-30/h1-4,18H,5-16H2,(H,26,31)(H,27,28,32)
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n/an/a 815n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM191228
PNG
(US9181266, 97)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2cc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C24H29N3O5/c1-31-20-4-2-16(3-5-20)23(29)17-6-9-27(10-7-17)14-22(28)25-13-19-12-18-8-11-32-15-21(18)24(30)26-19/h2-5,12,17H,6-11,13-15H2,1H3,(H,25,28)(H,26,30)
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n/an/a 27n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191142
PNG
(US9181266, 3)
Show SMILES CC(C)Oc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C25H32N4O5/c1-16(2)34-19-5-3-17(4-6-19)24(31)18-7-10-29(11-8-18)14-23(30)26-13-22-27-21-9-12-33-15-20(21)25(32)28-22/h3-6,16,18H,7-15H2,1-2H3,(H,26,30)(H,27,28,32)
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n/an/a 5.63E+3n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191154
PNG
(US9181266, 17)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2nc3ccccc3s2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C30H30FN5O4S/c31-21-7-5-19(6-8-21)29(38)20-9-12-35(13-10-20)17-28(37)36(16-27-33-24-3-1-2-4-25(24)41-27)15-26-32-23-11-14-40-18-22(23)30(39)34-26/h1-8,20H,9-18H2,(H,32,34,39)
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n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191155
PNG
(US9181266, 18)
Show SMILES COc1cccc(CN(Cc2nc3CCOCc3c(=O)[nH]2)C(=O)CN2CCC(CC2)C(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C30H33FN4O5/c1-39-24-4-2-3-20(15-24)16-35(17-27-32-26-11-14-40-19-25(26)30(38)33-27)28(36)18-34-12-9-22(10-13-34)29(37)21-5-7-23(31)8-6-21/h2-8,15,22H,9-14,16-19H2,1H3,(H,32,33,38)
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US Patent
n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50439797
PNG
(CHEMBL2419700 | US9181266, 22)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2ccccn2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C28H30FN5O4/c29-21-6-4-19(5-7-21)27(36)20-8-12-33(13-9-20)17-26(35)34(15-22-3-1-2-11-30-22)16-25-31-24-10-14-38-18-23(24)28(37)32-25/h1-7,11,20H,8-10,12-18H2,(H,31,32,37)
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n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50439792
PNG
(CHEMBL2419705 | US9181266, 24)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC2CC2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C26H31FN4O4/c27-20-5-3-18(4-6-20)25(33)19-7-10-30(11-8-19)15-24(32)31(13-17-1-2-17)14-23-28-22-9-12-35-16-21(22)26(34)29-23/h3-6,17,19H,1-2,7-16H2,(H,28,29,34)
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n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191164
PNG
(US9181266, 31)
Show SMILES CC[C@H](C)N(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
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n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191166
PNG
(US9181266, 33)
Show SMILES CC(C)N(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H31FN4O4/c1-16(2)30(13-22-27-21-9-12-34-15-20(21)25(33)28-22)23(31)14-29-10-7-18(8-11-29)24(32)17-3-5-19(26)6-4-17/h3-6,16,18H,7-15H2,1-2H3,(H,27,28,33)
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n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191168
PNG
(US9181266, 36)
Show SMILES C[C@@H](N(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1)c1ccc(F)cc1 |r|
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n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191176
PNG
(US9181266, 45)
Show SMILES FC(F)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H27F3N4O4/c25-17-3-1-15(2-4-17)23(33)16-5-8-30(9-6-16)13-22(32)31(11-20(26)27)12-21-28-19-7-10-35-14-18(19)24(34)29-21/h1-4,16,20H,5-14H2,(H,28,29,34)
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n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191182
PNG
(US9181266, 51)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C22H24FN5O4/c23-14-1-2-15-18(9-14)32-27-21(15)13-3-6-28(7-4-13)11-20(29)24-10-19-25-17-5-8-31-12-16(17)22(30)26-19/h1-2,9,13H,3-8,10-12H2,(H,24,29)(H,25,26,30)
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n/an/a 7.63E+3n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191202
PNG
(US9181266, 71)
Show SMILES FC(F)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H27F5N4O5/c26-20(27)11-34(12-21-31-19-7-10-38-14-18(19)24(37)32-21)22(35)13-33-8-5-16(6-9-33)23(36)15-1-3-17(4-2-15)39-25(28,29)30/h1-4,16,20H,5-14H2,(H,31,32,37)
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US Patent
n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...

US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%