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Patent code US10196381

Compile Data Set for Download or QSAR
Found 41 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))
BDBM332747
PNG
(2-(4-(5-cyanopyrazin-2-yl)piperazin-1-yl)-6-fluoro...)
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)N1CCN(CC1)c1cnc(cn1)C#N
Show InChI InChI=1S/C17H15FN8O/c18-10-5-12(16(20)27)15-13(6-10)23-17(24-15)26-3-1-25(2-4-26)14-9-21-11(7-19)8-22-14/h5-6,8-9H,1-4H2,(H2,20,27)(H,23,24)
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US Patent
n/an/a 3n/an/an/an/an/an/a



SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332743
PNG
(US10196381, Compound (33))
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)N1CCN(CC1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C17H15F4N7O/c18-9-5-11(14(22)29)13-12(6-9)25-16(26-13)28-3-1-27(2-4-28)10-7-23-15(24-8-10)17(19,20)21/h5-8H,1-4H2,(H2,22,29)(H,25,26)
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n/an/a 5n/an/an/an/an/an/a



SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332748
PNG
(2-(4-(2-cyanopyrimidin-5-yl)piperazin-1-yl)-6-fluo...)
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)N1CCN(CC1)c1cnc(nc1)C#N
Show InChI InChI=1S/C17H15FN8O/c18-10-5-12(16(20)27)15-13(6-10)23-17(24-15)26-3-1-25(2-4-26)11-8-21-14(7-19)22-9-11/h5-6,8-9H,1-4H2,(H2,20,27)(H,23,24)
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n/an/a 6n/an/an/an/an/an/a



SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332736
PNG
(2-(4-(5-ethylcarbamoylpyrazin-2-yl)piperazin-1-yl)...)
Show SMILES CCNC(=O)c1cnc(cn1)N1CCN(CC1)c1nc2c(cc(F)cc2[nH]1)C(N)=O
Show InChI InChI=1S/C19H21FN8O2/c1-2-22-18(30)14-9-24-15(10-23-14)27-3-5-28(6-4-27)19-25-13-8-11(20)7-12(17(21)29)16(13)26-19/h7-10H,2-6H2,1H3,(H2,21,29)(H,22,30)(H,25,26)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332735
PNG
(6-fluoro-2-(4-(5-methylcarbamoylpyrazin-2-yl)piper...)
Show SMILES CNC(=O)c1cnc(cn1)N1CCN(CC1)c1nc2c(cc(F)cc2[nH]1)C(N)=O
Show InChI InChI=1S/C18H19FN8O2/c1-21-17(29)13-8-23-14(9-22-13)26-2-4-27(5-3-26)18-24-12-7-10(19)6-11(16(20)28)15(12)25-18/h6-9H,2-5H2,1H3,(H2,20,28)(H,21,29)(H,24,25)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332741
PNG
(6-fluoro-2-(4-(6-trifluoromethylpyridazin-3-yl)pip...)
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)N1CCN(CC1)c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C17H15F4N7O/c18-9-7-10(15(22)29)14-11(8-9)23-16(24-14)28-5-3-27(4-6-28)13-2-1-12(25-26-13)17(19,20)21/h1-2,7-8H,3-6H2,(H2,22,29)(H,23,24)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332746
PNG
(2-(4-(5-dimethylcarbamoylpyrazin-2-yl)piperazin-1-...)
Show SMILES CN(C)C(=O)c1cnc(cn1)N1CCN(CC1)c1nc2c(cc(F)cc2[nH]1)C(N)=O
Show InChI InChI=1S/C19H21FN8O2/c1-26(2)18(30)14-9-23-15(10-22-14)27-3-5-28(6-4-27)19-24-13-8-11(20)7-12(17(21)29)16(13)25-19/h7-10H,3-6H2,1-2H3,(H2,21,29)(H,24,25)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332751
PNG
(2-(4-(2-dimethylcarbamoylpyrimidin-5-yl)piperazin-...)
Show SMILES CN(C)C(=O)c1ncc(cn1)N1CCN(CC1)c1nc2c(cc(F)cc2[nH]1)C(N)=O
Show InChI InChI=1S/C19H21FN8O2/c1-26(2)18(30)17-22-9-12(10-23-17)27-3-5-28(6-4-27)19-24-14-8-11(20)7-13(16(21)29)15(14)25-19/h7-10H,3-6H2,1-2H3,(H2,21,29)(H,24,25)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332745
PNG
(6-fluoro-2-(4-(5-trifluoromethylpyrazin-2-yl)piper...)
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)N1CCN(CC1)c1cnc(cn1)C(F)(F)F
Show InChI InChI=1S/C17H15F4N7O/c18-9-5-10(15(22)29)14-11(6-9)25-16(26-14)28-3-1-27(2-4-28)13-8-23-12(7-24-13)17(19,20)21/h5-8H,1-4H2,(H2,22,29)(H,25,26)
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n/an/a 9n/an/an/an/an/an/a



SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332749
PNG
(6-fluoro-2-(4-(2-methylcarbamoylpyrimidin-2-yl)pip...)
Show SMILES CNC(=O)c1ncc(cn1)N1CCN(CC1)c1nc2c(cc(F)cc2[nH]1)C(N)=O
Show InChI InChI=1S/C18H19FN8O2/c1-21-17(29)16-22-8-11(9-23-16)26-2-4-27(5-3-26)18-24-13-7-10(19)6-12(15(20)28)14(13)25-18/h6-9H,2-5H2,1H3,(H2,20,28)(H,21,29)(H,24,25)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332740
PNG
(6-fluoro-2-(4-(5-(morpholin-4-acyl)pyrazin-2-yl)pi...)
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)N1CCN(CC1)c1cnc(cn1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H23FN8O3/c22-13-9-14(19(23)31)18-15(10-13)26-21(27-18)30-3-1-28(2-4-30)17-12-24-16(11-25-17)20(32)29-5-7-33-8-6-29/h9-12H,1-8H2,(H2,23,31)(H,26,27)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332728
PNG
(2-(4-(5-cyanopyrimidin-2-yl)piperazin-1-yl)-6-fluo...)
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)N1CCN(CC1)c1ncc(cn1)C#N
Show InChI InChI=1S/C17H15FN8O/c18-11-5-12(15(20)27)14-13(6-11)23-17(24-14)26-3-1-25(2-4-26)16-21-8-10(7-19)9-22-16/h5-6,8-9H,1-4H2,(H2,20,27)(H,23,24)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332750
PNG
(2-(4-(2-ethylcarbamoylpyrimidin-5-yl)piperazin-1-y...)
Show SMILES CCNC(=O)c1ncc(cn1)N1CCN(CC1)c1nc2c(cc(F)cc2[nH]1)C(N)=O
Show InChI InChI=1S/C19H21FN8O2/c1-2-22-18(30)17-23-9-12(10-24-17)27-3-5-28(6-4-27)19-25-14-8-11(20)7-13(16(21)29)15(14)26-19/h7-10H,2-6H2,1H3,(H2,21,29)(H,22,30)(H,25,26)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332725
PNG
(US10196381, Compound (16))
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)N1CCN(CC1)c1ccncn1
Show InChI InChI=1S/C16H16FN7O/c17-10-7-11(15(18)25)14-12(8-10)21-16(22-14)24-5-3-23(4-6-24)13-1-2-19-9-20-13/h1-2,7-9H,3-6H2,(H2,18,25)(H,21,22)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332731
PNG
(6-fluoro-2-(4-(5-methylcarbamoylpyrimidin-2-yl)pip...)
Show SMILES CNC(=O)c1cnc(nc1)N1CCN(CC1)c1nc2c(cc(F)cc2[nH]1)C(N)=O
Show InChI InChI=1S/C18H19FN8O2/c1-21-16(29)10-8-22-17(23-9-10)26-2-4-27(5-3-26)18-24-13-7-11(19)6-12(15(20)28)14(13)25-18/h6-9H,2-5H2,1H3,(H2,20,28)(H,21,29)(H,24,25)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332732
PNG
(6-fluoro-2-(4-(6-methylcarbamoylpyridazin-3-yl)pip...)
Show SMILES CNC(=O)c1ccc(nn1)N1CCN(CC1)c1nc2c(cc(F)cc2[nH]1)C(N)=O
Show InChI InChI=1S/C18H19FN8O2/c1-21-17(29)12-2-3-14(25-24-12)26-4-6-27(7-5-26)18-22-13-9-10(19)8-11(16(20)28)15(13)23-18/h2-3,8-9H,4-7H2,1H3,(H2,20,28)(H,21,29)(H,22,23)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332739
PNG
(6-fluoro-2-(4-(5-(pyrrolin-1-acyl)pyrazin-2-yl)pip...)
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)N1CCN(CC1)c1cnc(cn1)C(=O)N1CCCC1
Show InChI InChI=1S/C21H23FN8O2/c22-13-9-14(19(23)31)18-15(10-13)26-21(27-18)30-7-5-28(6-8-30)17-12-24-16(11-25-17)20(32)29-3-1-2-4-29/h9-12H,1-8H2,(H2,23,31)(H,26,27)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332737
PNG
(6-fluoro-2-(4-(5-isopropylcarbamoylpyrazin-2-yl)pi...)
Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CCN(CC1)c1nc2c(cc(F)cc2[nH]1)C(N)=O
Show InChI InChI=1S/C20H23FN8O2/c1-11(2)25-19(31)15-9-24-16(10-23-15)28-3-5-29(6-4-28)20-26-14-8-12(21)7-13(18(22)30)17(14)27-20/h7-11H,3-6H2,1-2H3,(H2,22,30)(H,25,31)(H,26,27)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332742
PNG
(6-fluoro-2-(4-(6-trifluoromethylpyridine-3-yl)pipe...)
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)N1CCN(CC1)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C18H16F4N6O/c19-10-7-12(16(23)29)15-13(8-10)25-17(26-15)28-5-3-27(4-6-28)11-1-2-14(24-9-11)18(20,21)22/h1-2,7-9H,3-6H2,(H2,23,29)(H,25,26)
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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
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332714
PNG
(2-(4-(pyrimidin-4-yl)piperazin-1-yl)-1H-benzimidaz...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)N1CCN(CC1)c1ccncn1
Show InChI InChI=1S/C16H17N7O/c17-15(24)11-2-1-3-12-14(11)21-16(20-12)23-8-6-22(7-9-23)13-4-5-18-10-19-13/h1-5,10H,6-9H2,(H2,17,24)(H,20,21)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332721
PNG
(2-(4-(5-carbamoylpyridin-2-yl)piperazin-1-yl)-1H-b...)
Show SMILES NC(=O)c1ccc(nc1)N1CCN(CC1)c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C18H19N7O2/c19-16(26)11-4-5-14(21-10-11)24-6-8-25(9-7-24)18-22-13-3-1-2-12(17(20)27)15(13)23-18/h1-5,10H,6-9H2,(H2,19,26)(H2,20,27)(H,22,23)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332718
PNG
(2-(4-(5-methylcarbamoylpyridin-2-yl)piperazin-1-yl...)
Show SMILES CNC(=O)c1ccc(nc1)N1CCN(CC1)c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C19H21N7O2/c1-21-18(28)12-5-6-15(22-11-12)25-7-9-26(10-8-25)19-23-14-4-2-3-13(17(20)27)16(14)24-19/h2-6,11H,7-10H2,1H3,(H2,20,27)(H,21,28)(H,23,24)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332738
PNG
(2-(4-(5-t-butylcarbamoylpyrazin-2-yl)piperazin-1-y...)
Show SMILES CC(C)CNC(=O)c1cnc(cn1)N1CCN(CC1)c1nc2c(cc(F)cc2[nH]1)C(N)=O
Show InChI InChI=1S/C21H25FN8O2/c1-12(2)9-26-20(32)16-10-25-17(11-24-16)29-3-5-30(6-4-29)21-27-15-8-13(22)7-14(19(23)31)18(15)28-21/h7-8,10-12H,3-6,9H2,1-2H3,(H2,23,31)(H,26,32)(H,27,28)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332726
PNG
(6-fluoro-2-(4-(5-fluoropyrimidin-2-yl)piperazin-1-...)
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)N1CCN(CC1)c1ncc(F)cn1
Show InChI InChI=1S/C16H15F2N7O/c17-9-5-11(14(19)26)13-12(6-9)22-16(23-13)25-3-1-24(2-4-25)15-20-7-10(18)8-21-15/h5-8H,1-4H2,(H2,19,26)(H,22,23)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332723
PNG
(2-(4-(5-cyanopyrimidin-2-yl)piperazin-1-yl)-1H-ben...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)N1CCN(CC1)c1ncc(cn1)C#N
Show InChI InChI=1S/C17H16N8O/c18-8-11-9-20-16(21-10-11)24-4-6-25(7-5-24)17-22-13-3-1-2-12(15(19)26)14(13)23-17/h1-3,9-10H,4-7H2,(H2,19,26)(H,22,23)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332727
PNG
(2-(4-(5-(dimethylcarbamoyl)pyridin-2-yl)piperazin-...)
Show SMILES CN(C)C(=O)c1ccc(nc1)N1CCN(CC1)c1nc2c(cc(F)cc2[nH]1)C(N)=O
Show InChI InChI=1S/C20H22FN7O2/c1-26(2)19(30)12-3-4-16(23-11-12)27-5-7-28(8-6-27)20-24-15-10-13(21)9-14(18(22)29)17(15)25-20/h3-4,9-11H,5-8H2,1-2H3,(H2,22,29)(H,24,25)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332734
PNG
(6-fluoro-2-(4-(5-methylcarbamoylpyridin-2-yl)piper...)
Show SMILES CNC(=O)c1ccc(nc1)N1CCN(CC1)c1nc2c(cc(F)cc2[nH]1)C(N)=O
Show InChI InChI=1S/C19H20FN7O2/c1-22-18(29)11-2-3-15(23-10-11)26-4-6-27(7-5-26)19-24-14-9-12(20)8-13(17(21)28)16(14)25-19/h2-3,8-10H,4-7H2,1H3,(H2,21,28)(H,22,29)(H,24,25)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332708
PNG
(US10196381, Compound (1))
Show SMILES NC(=O)c1cccc2[nH]c(nc12)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C16H17N7O/c17-14(24)11-3-1-4-12-13(11)21-16(20-12)23-9-7-22(8-10-23)15-18-5-2-6-19-15/h1-6H,7-10H2,(H2,17,24)(H,20,21)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332729
PNG
(6-fluoro-2-(4-(3-methylcarbamoylpyridin-2-yl)piper...)
Show SMILES Cc1cccnc1N1CCN(CC1)c1nc2c(cc(F)cc2[nH]1)C(N)=O
Show InChI InChI=1S/C18H19FN6O/c1-11-3-2-4-21-17(11)24-5-7-25(8-6-24)18-22-14-10-12(19)9-13(16(20)26)15(14)23-18/h2-4,9-10H,5-8H2,1H3,(H2,20,26)(H,22,23)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332709
PNG
(US10196381, Compound (2))
Show SMILES NC(=O)c1cccc2[nH]c(nc12)N1CCN(CC1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN7O/c17-10-8-19-15(20-9-10)23-4-6-24(7-5-23)16-21-12-3-1-2-11(14(18)25)13(12)22-16/h1-3,8-9H,4-7H2,(H2,18,25)(H,21,22)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332722
PNG
(2-(4-(2-trifluoromethylpyridin-4-yl)piperazin-1-yl...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)N1CCN(CC1)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N6O/c19-18(20,21)14-10-11(4-5-23-14)26-6-8-27(9-7-26)17-24-13-3-1-2-12(16(22)28)15(13)25-17/h1-5,10H,6-9H2,(H2,22,28)(H,24,25)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332724
PNG
(2-(4-(5-dimethylcarbamoylpyridin-2-yl)piperazin-1-...)
Show SMILES CN(C)C(=O)c1ccc(nc1)N1CCN(CC1)c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C20H23N7O2/c1-25(2)19(29)13-6-7-16(22-12-13)26-8-10-27(11-9-26)20-23-15-5-3-4-14(18(21)28)17(15)24-20/h3-7,12H,8-11H2,1-2H3,(H2,21,28)(H,23,24)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332717
PNG
(2-(4-(6-trifluoromethylpyrimidin-4-yl)piperazin-1-...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)N1CCN(CC1)c1cc(ncn1)C(F)(F)F
Show InChI InChI=1S/C17H16F3N7O/c18-17(19,20)12-8-13(23-9-22-12)26-4-6-27(7-5-26)16-24-11-3-1-2-10(15(21)28)14(11)25-16/h1-3,8-9H,4-7H2,(H2,21,28)(H,24,25)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332744
PNG
(6-fluoro-2-(4-(5-trifluoromethylpyrimidin-2-yl)pip...)
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)N1CCN(CC1)c1ncc(cn1)C(F)(F)F
Show InChI InChI=1S/C17H15F4N7O/c18-10-5-11(14(22)29)13-12(6-10)25-16(26-13)28-3-1-27(2-4-28)15-23-7-9(8-24-15)17(19,20)21/h5-8H,1-4H2,(H2,22,29)(H,25,26)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332730
PNG
(6-fluoro-2-(4-(5-trifluoromethylpyridin-2-yl)piper...)
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)N1CCN(CC1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C18H16F4N6O/c19-11-7-12(16(23)29)15-13(8-11)25-17(26-15)28-5-3-27(4-6-28)14-2-1-10(9-24-14)18(20,21)22/h1-2,7-9H,3-6H2,(H2,23,29)(H,25,26)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332712
PNG
(2-(4-(5-methoxypyrimidin-2-yl)piperazin-1-yl)-1H-b...)
Show SMILES COc1cnc(nc1)N1CCN(CC1)c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C17H19N7O2/c1-26-11-9-19-16(20-10-11)23-5-7-24(8-6-23)17-21-13-4-2-3-12(15(18)25)14(13)22-17/h2-4,9-10H,5-8H2,1H3,(H2,18,25)(H,21,22)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332713
PNG
(2-(4-(5-aminopyrimidin-2-yl)piperazin-1-yl)-1H-ben...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)N1CCN(CC1)c1ncc(N)cn1
Show InChI InChI=1S/C16H18N8O/c17-10-8-19-15(20-9-10)23-4-6-24(7-5-23)16-21-12-3-1-2-11(14(18)25)13(12)22-16/h1-3,8-9H,4-7,17H2,(H2,18,25)(H,21,22)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332711
PNG
(2-(4-(5-acetamidopyrimidin-2-yl)piperazin-1-yl)-1H...)
Show SMILES CC(=O)Nc1cnc(nc1)N1CCN(CC1)c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C18H20N8O2/c1-11(27)22-12-9-20-17(21-10-12)25-5-7-26(8-6-25)18-23-14-4-2-3-13(16(19)28)15(14)24-18/h2-4,9-10H,5-8H2,1H3,(H2,19,28)(H,22,27)(H,23,24)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332716
PNG
(2-(4-(4-trifluoromethylpyrimidin-2-yl)piperazin-1-...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)N1CCN(CC1)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C17H16F3N7O/c18-17(19,20)12-4-5-22-15(24-12)26-6-8-27(9-7-26)16-23-11-3-1-2-10(14(21)28)13(11)25-16/h1-5H,6-9H2,(H2,21,28)(H,23,25)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332715
PNG
(2-(4-(3-ethylaminopyridin-2-yl)piperazin-1-yl)-1H-...)
Show SMILES CCNc1cccnc1N1CCN(CC1)c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C19H23N7O/c1-2-21-15-7-4-8-22-18(15)25-9-11-26(12-10-25)19-23-14-6-3-5-13(17(20)27)16(14)24-19/h3-8,21H,2,9-12H2,1H3,(H2,20,27)(H,23,24)
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SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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


(Homo sapiens (human))
BDBM332710
PNG
(2-(4-(5-ethylaminopyrimidin-2-yl)piperazin-1-yl)-1...)
Show SMILES CCNc1cnc(nc1)N1CCN(CC1)c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C18H22N8O/c1-2-20-12-10-21-17(22-11-12)25-6-8-26(9-7-25)18-23-14-5-3-4-13(16(19)27)15(14)24-18/h3-5,10-11,20H,2,6-9H2,1H3,(H2,19,27)(H,23,24)
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UniChem
US Patent
n/an/a 3.58E+3n/an/an/an/an/an/a



SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD

US Patent


Assay Description
1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...


US Patent US10196381 (2019)

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