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Patent code US10174023

Compile Data Set for Download or QSAR
Found 22 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))
BDBM320266
PNG
(4-(3-(4-(1H-imidazo[4,5-b]pyridin-5-yl)piperazine-...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1ccc2[nH]cnc2n1
Show InChI InChI=1S/C26H22FN7O2/c27-20-6-5-16(14-22-17-3-1-2-4-18(17)25(35)32-31-22)13-19(20)26(36)34-11-9-33(10-12-34)23-8-7-21-24(30-23)29-15-28-21/h1-8,13,15H,9-12,14H2,(H,32,35)(H,28,29,30)
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SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320267
PNG
(4-(4-fluoro-3-(4-(2-oxo-2,3-dihydro-1H-imidazo[4,5...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1ccc2[nH]c(=O)[nH]c2n1
Show InChI InChI=1S/C26H22FN7O3/c27-19-6-5-15(14-21-16-3-1-2-4-17(16)24(35)32-31-21)13-18(19)25(36)34-11-9-33(10-12-34)22-8-7-20-23(29-22)30-26(37)28-20/h1-8,13H,9-12,14H2,(H,32,35)(H2,28,29,30,37)
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SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320275
PNG
(4-(3-(4-(1H-imidazo[4,5-b]pyridin-5-yl)piperazine-...)
Show SMILES O=C(N1CCN(CC1)c1ccc2[nH]cnc2n1)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C26H23N7O2/c34-25-20-7-2-1-6-19(20)22(30-31-25)15-17-4-3-5-18(14-17)26(35)33-12-10-32(11-13-33)23-9-8-21-24(29-23)28-16-27-21/h1-9,14,16H,10-13,15H2,(H,31,34)(H,27,28,29)
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SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320282
PNG
(4-(3-(4-(3H-imidazo[4,5-b]pyridin-6-yl)piperazine-...)
Show SMILES FC(F)(F)c1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1cnc2[nH]cnc2c1
Show InChI InChI=1S/C27H22F3N7O2/c28-27(29,30)21-6-5-16(12-22-18-3-1-2-4-19(18)25(38)35-34-22)11-20(21)26(39)37-9-7-36(8-10-37)17-13-23-24(31-14-17)33-15-32-23/h1-6,11,13-15H,7-10,12H2,(H,35,38)(H,31,32,33)
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SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320263
PNG
(4-(3-(4-(1H[1,2,3]triazolo[4,5-b]pyridin-5-yl)pipe...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1ccc2[nH]nnc2n1
Show InChI InChI=1S/C25H21FN8O2/c26-19-6-5-15(14-21-16-3-1-2-4-17(16)24(35)31-28-21)13-18(19)25(36)34-11-9-33(10-12-34)22-8-7-20-23(27-22)30-32-29-20/h1-8,13H,9-12,14H2,(H,31,35)(H,27,29,30,32)
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SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320271
PNG
(4-(3-(4-(2-carbonyl-2,3-dihydro-1H-imidazo[4,5-b]p...)
Show SMILES O=C(N1CCN(CC1)c1ccc2[nH]c(=O)[nH]c2n1)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C26H23N7O3/c34-24-19-7-2-1-6-18(19)21(30-31-24)15-16-4-3-5-17(14-16)25(35)33-12-10-32(11-13-33)22-9-8-20-23(28-22)29-26(36)27-20/h1-9,14H,10-13,15H2,(H,31,34)(H2,27,28,29,36)
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SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320277
PNG
(4-(3-(4-(1H-imidazo[4,5-b]pyridin-5-yl)piperazine-...)
Show SMILES FC(F)(F)c1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1ccc2[nH]cnc2n1
Show InChI InChI=1S/C27H22F3N7O2/c28-27(29,30)20-6-5-16(14-22-17-3-1-2-4-18(17)25(38)35-34-22)13-19(20)26(39)37-11-9-36(10-12-37)23-8-7-21-24(33-23)32-15-31-21/h1-8,13,15H,9-12,14H2,(H,35,38)(H,31,32,33)
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SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320268
PNG
(4-(3-(4-(3H-imidazo[4,5-c]pyridin-6-yl)piperazine-...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1cc2nc[nH]c2cn1
Show InChI InChI=1S/C26H22FN7O2/c27-20-6-5-16(12-21-17-3-1-2-4-18(17)25(35)32-31-21)11-19(20)26(36)34-9-7-33(8-10-34)24-13-22-23(14-28-24)30-15-29-22/h1-6,11,13-15H,7-10,12H2,(H,29,30)(H,32,35)
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SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320276
PNG
(4-(3-(4-(1H-imidazo[4,5-b]pyridin-5-yl)piperazine-...)
Show SMILES COc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1ccc2[nH]cnc2n1
Show InChI InChI=1S/C27H25N7O3/c1-37-23-8-6-17(15-22-18-4-2-3-5-19(18)26(35)32-31-22)14-20(23)27(36)34-12-10-33(11-13-34)24-9-7-21-25(30-24)29-16-28-21/h2-9,14,16H,10-13,15H2,1H3,(H,32,35)(H,28,29,30)
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SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320272
PNG
(4-(3-(4-(1H-[1,2,3]triazolo[4,5-b]pyridin-5-yl)pip...)
Show SMILES O=C(N1CCN(CC1)c1ccc2[nH]nnc2n1)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C25H22N8O2/c34-24-19-7-2-1-6-18(19)21(27-30-24)15-16-4-3-5-17(14-16)25(35)33-12-10-32(11-13-33)22-9-8-20-23(26-22)29-31-28-20/h1-9,14H,10-13,15H2,(H,30,34)(H,26,28,29,31)
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SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320279
PNG
(4-(3-(4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-]pyridin...)
Show SMILES FC(F)(F)c1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1ccc2[nH]c(=O)[nH]c2n1
Show InChI InChI=1S/C27H22F3N7O3/c28-27(29,30)19-6-5-15(14-21-16-3-1-2-4-17(16)24(38)35-34-21)13-18(19)25(39)37-11-9-36(10-12-37)22-8-7-20-23(32-22)33-26(40)31-20/h1-8,13H,9-12,14H2,(H,35,38)(H2,31,32,33,40)
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SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320265
PNG
(4-(4-fluoro-3-(4-(2-trifluoromethyl)-1H-imidazo[4,...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1ccc2[nH]c(nc2n1)C(F)(F)F
Show InChI InChI=1S/C27H21F4N7O2/c28-19-6-5-15(14-21-16-3-1-2-4-17(16)24(39)36-35-21)13-18(19)25(40)38-11-9-37(10-12-38)22-8-7-20-23(33-22)34-26(32-20)27(29,30)31/h1-8,13H,9-12,14H2,(H,36,39)(H,32,33,34)
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SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320278
PNG
(4-(3-(4-(1H-[1,2,3]triazolo[4,5-b]pyridin-5-yl)pip...)
Show SMILES FC(F)(F)c1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1ccc2[nH]nnc2n1
Show InChI InChI=1S/C26H21F3N8O2/c27-26(28,29)19-6-5-15(14-21-16-3-1-2-4-17(16)24(38)34-31-21)13-18(19)25(39)37-11-9-36(10-12-37)22-8-7-20-23(30-22)33-35-32-20/h1-8,13H,9-12,14H2,(H,34,38)(H,30,32,33,35)
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SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM27566
PNG
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
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SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320269
PNG
(4-(3-(4-(3H-imidazo[4,5-b]pyridin-6-yl)piperazine-...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1cnc2[nH]cnc2c1
Show InChI InChI=1S/C26H22FN7O2/c27-21-6-5-16(12-22-18-3-1-2-4-19(18)25(35)32-31-22)11-20(21)26(36)34-9-7-33(8-10-34)17-13-23-24(28-14-17)30-15-29-23/h1-6,11,13-15H,7-10,12H2,(H,32,35)(H,28,29,30)
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SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320281
PNG
(4-(3-(4-(3H-imidazo[4,5-c]pyridin-6-yl)piperazine-...)
Show SMILES FC(F)(F)c1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1cc2nc[nH]c2cn1
Show InChI InChI=1S/C27H22F3N7O2/c28-27(29,30)20-6-5-16(12-21-17-3-1-2-4-18(17)25(38)35-34-21)11-19(20)26(39)37-9-7-36(8-10-37)24-13-22-23(14-31-24)33-15-32-22/h1-6,11,13-15H,7-10,12H2,(H,32,33)(H,35,38)
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SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320264
PNG
(4-(4-fluoro-3-(4-(2-methyl-1H-imidazo[4,5-b]pyridi...)
Show SMILES Cc1nc2nc(ccc2[nH]1)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
Show InChI InChI=1S/C27H24FN7O2/c1-16-29-22-8-9-24(31-25(22)30-16)34-10-12-35(13-11-34)27(37)20-14-17(6-7-21(20)28)15-23-18-4-2-3-5-19(18)26(36)33-32-23/h2-9,14H,10-13,15H2,1H3,(H,33,36)(H,29,30,31)
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SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320274
PNG
(4-(3-(4-(2-trifluoromethyl)-1H-imidazo[4,5-b]pyrid...)
Show SMILES FC(F)(F)c1nc2nc(ccc2[nH]1)N1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C27H22F3N7O2/c28-27(29,30)26-31-20-8-9-22(32-23(20)33-26)36-10-12-37(13-11-36)25(39)17-5-3-4-16(14-17)15-21-18-6-1-2-7-19(18)24(38)35-34-21/h1-9,14H,10-13,15H2,(H,35,38)(H,31,32,33)
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SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320270
PNG
(4-(3-(4-(7H-purin-2-yl)piperazine-1-carbonyl)-4-fl...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1ncc2[nH]cnc2n1
Show InChI InChI=1S/C25H21FN8O2/c26-19-6-5-15(12-20-16-3-1-2-4-17(16)23(35)32-31-20)11-18(19)24(36)33-7-9-34(10-8-33)25-27-13-21-22(30-25)29-14-28-21/h1-6,11,13-14H,7-10,12H2,(H,32,35)(H,27,28,29,30)
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UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320280
PNG
(4-(3-(4-(3H-imidazo[4,5-c]pyridin-6-yl)piperazine-...)
Show SMILES COc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1cc2nc[nH]c2cn1
Show InChI InChI=1S/C27H25N7O3/c1-37-24-7-6-17(13-21-18-4-2-3-5-19(18)26(35)32-31-21)12-20(24)27(36)34-10-8-33(9-11-34)25-14-22-23(15-28-25)30-16-29-22/h2-7,12,14-16H,8-11,13H2,1H3,(H,29,30)(H,32,35)
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n/an/a 13n/an/an/an/an/an/a



SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320283
PNG
(4-(3-(4-(3H-imidazo[4,5-b]pyridin-6-yl)piperazine-...)
Show SMILES COc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1cnc2[nH]cnc2c1
Show InChI InChI=1S/C27H25N7O3/c1-37-24-7-6-17(13-22-19-4-2-3-5-20(19)26(35)32-31-22)12-21(24)27(36)34-10-8-33(9-11-34)18-14-23-25(28-15-18)30-16-29-23/h2-7,12,14-16H,8-11,13H2,1H3,(H,32,35)(H,28,29,30)
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n/an/a 15n/an/an/an/an/an/a



SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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


(Homo sapiens (human))
BDBM320273
PNG
(4-(3-(4-(2-methyl-1H-imidazo[4,5-b]pyridin-5-yl)pi...)
Show SMILES Cc1nc2nc(ccc2[nH]1)N1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C27H25N7O2/c1-17-28-22-9-10-24(30-25(22)29-17)33-11-13-34(14-12-33)27(36)19-6-4-5-18(15-19)16-23-20-7-2-3-8-21(20)26(35)32-31-23/h2-10,15H,11-14,16H2,1H3,(H,32,35)(H,28,29,30)
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n/an/a 17n/an/an/an/an/an/a



SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

US Patent


Assay Description
HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.


US Patent US10174023 (2019)

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