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Compile Data Set for Download or QSAR

Found 218 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 8828   
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) glycohydrolase


(Homo sapiens (Human))
BDBM421410
PNG
(US10508086, Example 1 | US10995073, Example 1)
Show SMILES Cn1c2cc(ccc2n(Cc2c(Cl)cccc2Cl)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C19H19Cl2N3O3S/c1-19(8-9-19)22-28(26,27)12-6-7-16-17(10-12)23(2)18(25)24(16)11-13-14(20)4-3-5-15(13)21/h3-7,10,22H,8-9,11H2,1-2H3
PDB

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US Patent
n/an/an/an/a 9.41E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421411
PNG
(US10508086, Example 2 | US10995073, Example 2)
Show SMILES Cn1c2cc(ccc2n(CC2CC2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C16H21N3O3S/c1-16(7-8-16)17-23(21,22)12-5-6-13-14(9-12)18(2)15(20)19(13)10-11-3-4-11/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3
PDB

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US Patent
n/an/an/an/a 5.00E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421412
PNG
(US10508086, Example 3 | US10995073, Example 3)
Show SMILES Cn1c2cc(ccc2n(Cc2ccccc2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C19H21N3O3S/c1-19(10-11-19)20-26(24,25)15-8-9-16-17(12-15)21(2)18(23)22(16)13-14-6-4-3-5-7-14/h3-9,12,20H,10-11,13H2,1-2H3
PDB

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US Patent
n/an/an/an/a 8.28E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421413
PNG
(US10508086, Example 4 | US10995073, Example 4)
Show SMILES CC1(CC1)NS(=O)(=O)c1ccc2n(CC3CC3)c(=O)n(-c3ccccc3)c2c1
Show InChI InChI=1S/C21H23N3O3S/c1-21(11-12-21)22-28(26,27)17-9-10-18-19(13-17)24(16-5-3-2-4-6-16)20(25)23(18)14-15-7-8-15/h2-6,9-10,13,15,22H,7-8,11-12,14H2,1H3
PDB

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n/an/an/an/a 2.91E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421414
PNG
(US10508086, Example 5 | US10995073, Example 5)
Show SMILES Cn1c2cc(ccc2n(Cc2cccnc2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C18H20N4O3S/c1-18(7-8-18)20-26(24,25)14-5-6-15-16(10-14)21(2)17(23)22(15)12-13-4-3-9-19-11-13/h3-6,9-11,20H,7-8,12H2,1-2H3
PDB

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US Patent
n/an/an/an/a 6.76E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421415
PNG
(US10508086, Example 6 | US10995073, Example 6)
Show SMILES Cn1c2cc(ccc2n(CC2CC2(F)F)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C16H19F2N3O3S/c1-15(5-6-15)19-25(23,24)11-3-4-12-13(7-11)20(2)14(22)21(12)9-10-8-16(10,17)18/h3-4,7,10,19H,5-6,8-9H2,1-2H3
PDB

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n/an/an/an/a 8.32E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421416
PNG
(US10508086, Example 7 | US10995073, Example 7)
Show SMILES CC(C)Cn1c2ccc(cc2n(C)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C16H23N3O3S/c1-11(2)10-19-13-6-5-12(9-14(13)18(4)15(19)20)23(21,22)17-16(3)7-8-16/h5-6,9,11,17H,7-8,10H2,1-4H3
PDB

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n/an/an/an/a 9.79E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421417
PNG
(US10508086, Example 8 | US10995073, Example 8)
Show SMILES CC1CC1Cn1c2ccc(cc2n(C)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C17H23N3O3S/c1-11-8-12(11)10-20-14-5-4-13(9-15(14)19(3)16(20)21)24(22,23)18-17(2)6-7-17/h4-5,9,11-12,18H,6-8,10H2,1-3H3
PDB

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n/an/an/an/a 4.51E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421418
PNG
(US10508086, Example 9 | US10995073, Example 9)
Show SMILES Cn1c2cc(ccc2n(CC2(C)CC2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C17H23N3O3S/c1-16(6-7-16)11-20-13-5-4-12(10-14(13)19(3)15(20)21)24(22,23)18-17(2)8-9-17/h4-5,10,18H,6-9,11H2,1-3H3
PDB

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US Patent
n/an/an/an/a 4.04E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421419
PNG
(US10508086, Example 10 | US10995073, Example 10)
Show SMILES Cn1c2cc(ccc2n(CC2(C)COC2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C17H23N3O4S/c1-16(10-24-11-16)9-20-13-5-4-12(8-14(13)19(3)15(20)21)25(22,23)18-17(2)6-7-17/h4-5,8,18H,6-7,9-11H2,1-3H3
PDB

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US Patent
n/an/an/an/a 8.42E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421420
PNG
(US10508086, Example 11 | US10995073, Example 11)
Show SMILES Cn1c2cc(ccc2n(CC2CCC2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C17H23N3O3S/c1-17(8-9-17)18-24(22,23)13-6-7-14-15(10-13)19(2)16(21)20(14)11-12-4-3-5-12/h6-7,10,12,18H,3-5,8-9,11H2,1-2H3
PDB

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US Patent
n/an/an/an/a 4.67E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421421
PNG
(US10508086, Example 12 | US10995073, Example 12)
Show SMILES Cn1c2cc(ccc2n(CC2CCCCC2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C19H27N3O3S/c1-19(10-11-19)20-26(24,25)15-8-9-16-17(12-15)21(2)18(23)22(16)13-14-6-4-3-5-7-14/h8-9,12,14,20H,3-7,10-11,13H2,1-2H3
PDB

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n/an/an/an/a 8.29E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421422
PNG
(US10508086, Example 13 | US10995073, Example 13)
Show SMILES Cn1c2cc(ccc2n(Cc2ccncc2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C18H20N4O3S/c1-18(7-8-18)20-26(24,25)14-3-4-15-16(11-14)21(2)17(23)22(15)12-13-5-9-19-10-6-13/h3-6,9-11,20H,7-8,12H2,1-2H3
PDB

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n/an/an/an/a 7.12E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421423
PNG
(N-(1-Methylcyclopropyl)-1-[2-(2-oxooxazolidin-3-yl...)
Show SMILES CC1(CC1)NS(=O)(=O)c1ccc2CCN(C(=O)CN3CCOC3=O)c2c1
Show InChI InChI=1S/C17H21N3O5S/c1-17(5-6-17)18-26(23,24)13-3-2-12-4-7-20(14(12)10-13)15(21)11-19-8-9-25-16(19)22/h2-3,10,18H,4-9,11H2,1H3
PDB

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n/an/an/an/a 4.28E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421424
PNG
(US10508086, Example 15 | US10995073, Example 15)
Show SMILES Cn1c2cc(ccc2n(CC(C)(C)C)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C17H25N3O3S/c1-16(2,3)11-20-13-7-6-12(10-14(13)19(5)15(20)21)24(22,23)18-17(4)8-9-17/h6-7,10,18H,8-9,11H2,1-5H3
PDB

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US Patent
n/an/an/an/a 6.59E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421425
PNG
(US10508086, Example 16 | US10995073, Example 16)
Show SMILES Cn1c2cc(ccc2n(CC2CCCC2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C18H25N3O3S/c1-18(9-10-18)19-25(23,24)14-7-8-15-16(11-14)20(2)17(22)21(15)12-13-5-3-4-6-13/h7-8,11,13,19H,3-6,9-10,12H2,1-2H3
PDB

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n/an/an/an/a 3.39E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421426
PNG
(US10508086, Example 17 | US10995073, Example 17)
Show SMILES Cn1c2cc(ccc2n(CC#C)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C15H17N3O3S/c1-4-9-18-12-6-5-11(10-13(12)17(3)14(18)19)22(20,21)16-15(2)7-8-15/h1,5-6,10,16H,7-9H2,2-3H3
PDB

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n/an/an/an/a 4.78E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421427
PNG
(US10508086, Example 18 | US10995073, Example 18)
Show SMILES Cn1c2cc(ccc2n(CC=C)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C15H19N3O3S/c1-4-9-18-12-6-5-11(10-13(12)17(3)14(18)19)22(20,21)16-15(2)7-8-15/h4-6,10,16H,1,7-9H2,2-3H3
PDB

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n/an/an/an/a 7.56E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421428
PNG
(US10508086, Example 19 | US10995073, Example 19)
Show SMILES Cn1c2cc(ccc2n(CCC2CC2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C17H23N3O3S/c1-17(8-9-17)18-24(22,23)13-5-6-14-15(11-13)19(2)16(21)20(14)10-7-12-3-4-12/h5-6,11-12,18H,3-4,7-10H2,1-2H3
PDB

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n/an/an/an/a 5.36E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421429
PNG
(US10508086, Example 20 | US10995073, Example 20)
Show SMILES Cc1ccc(Cn2c3ccc(cc3n(C)c2=O)S(=O)(=O)NC2(C)CC2)o1
Show InChI InChI=1S/C18H21N3O4S/c1-12-4-5-13(25-12)11-21-15-7-6-14(10-16(15)20(3)17(21)22)26(23,24)19-18(2)8-9-18/h4-7,10,19H,8-9,11H2,1-3H3
PDB

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n/an/an/an/a 3.50E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421430
PNG
(N-(1-Methylcyclopropyl)-1-[2-(2-oxoimidazolidin-1-...)
Show SMILES CC1(CC1)NS(=O)(=O)c1ccc2CCN(C(=O)CN3CCNC3=O)c2c1
Show InChI InChI=1S/C17H22N4O4S/c1-17(5-6-17)19-26(24,25)13-3-2-12-4-8-21(14(12)10-13)15(22)11-20-9-7-18-16(20)23/h2-3,10,19H,4-9,11H2,1H3,(H,18,23)
PDB

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n/an/an/an/a 5.23E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421431
PNG
(US10508086, Example 22 | US10995073, Example 22)
Show SMILES CC(=O)OCCn1c2ccc(cc2n(C)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C16H21N3O5S/c1-11(20)24-9-8-19-13-5-4-12(10-14(13)18(3)15(19)21)25(22,23)17-16(2)6-7-16/h4-5,10,17H,6-9H2,1-3H3
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n/an/an/an/a 9.18E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421432
PNG
(US10508086, Example 23 | US10995073, Example 23)
Show SMILES Cn1ccc(Cn2c3ccc(cc3n(C)c2=O)S(=O)(=O)NC2(C)CC2)n1
Show InChI InChI=1S/C17H21N5O3S/c1-17(7-8-17)19-26(24,25)13-4-5-14-15(10-13)21(3)16(23)22(14)11-12-6-9-20(2)18-12/h4-6,9-10,19H,7-8,11H2,1-3H3
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n/an/an/an/a 8.83E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421433
PNG
(US10508086, Example 24 | US10995073, Example 24)
Show SMILES CC(=O)n1c2cc(ccc2n(C)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C14H17N3O4S/c1-9(18)17-12-8-10(4-5-11(12)16(3)13(17)19)22(20,21)15-14(2)6-7-14/h4-5,8,15H,6-7H2,1-3H3
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n/an/an/an/a 2.80E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421434
PNG
(N-(1-Methylcyclopropyl)-1-[2-(3-methyl-2-oxo-imida...)
Show SMILES CN1CCN(CC(=O)N2CCc3ccc(cc23)S(=O)(=O)NC2(C)CC2)C1=O
Show InChI InChI=1S/C18H24N4O4S/c1-18(6-7-18)19-27(25,26)14-4-3-13-5-8-22(15(13)11-14)16(23)12-21-10-9-20(2)17(21)24/h3-4,11,19H,5-10,12H2,1-2H3
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n/an/an/an/a 8.92E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421435
PNG
(US10508086, Example 26 | US10995073, Example 26)
Show SMILES Cn1c2ccc(cc2n(-c2ccsc2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C16H17N3O3S2/c1-16(6-7-16)17-24(21,22)12-3-4-13-14(9-12)19(15(20)18(13)2)11-5-8-23-10-11/h3-5,8-10,17H,6-7H2,1-2H3
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n/an/an/an/a 6.99E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421436
PNG
(US10508086, Example 27 | US10995073, Example 27)
Show SMILES Cn1c2ccc(cc2n(C(=O)c2ccccc2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C19H19N3O4S/c1-19(10-11-19)20-27(25,26)14-8-9-15-16(12-14)22(18(24)21(15)2)17(23)13-6-4-3-5-7-13/h3-9,12,20H,10-11H2,1-2H3
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n/an/an/an/a 925n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421437
PNG
(US10508086, Example 28 | US10995073, Example 28)
Show SMILES Cn1c2ccc(cc2n(C(=O)C2CCCCC2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C19H25N3O4S/c1-19(10-11-19)20-27(25,26)14-8-9-15-16(12-14)22(18(24)21(15)2)17(23)13-6-4-3-5-7-13/h8-9,12-13,20H,3-7,10-11H2,1-2H3
PDB

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n/an/an/an/a 352n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421438
PNG
(US10508086, Example 29 | US10995073, Example 29)
Show SMILES Cc1ccc(cc1)C(=O)n1c2cc(ccc2n(C)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C20H21N3O4S/c1-13-4-6-14(7-5-13)18(24)23-17-12-15(8-9-16(17)22(3)19(23)25)28(26,27)21-20(2)10-11-20/h4-9,12,21H,10-11H2,1-3H3
PDB

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n/an/an/an/a 4.46E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421439
PNG
(US10508086, Example 30 | US10995073, Example 30)
Show SMILES Cc1cccc(c1)C(=O)n1c2cc(ccc2n(C)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C20H21N3O4S/c1-13-5-4-6-14(11-13)18(24)23-17-12-15(7-8-16(17)22(3)19(23)25)28(26,27)21-20(2)9-10-20/h4-8,11-12,21H,9-10H2,1-3H3
PDB

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n/an/an/an/a 9.57E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421440
PNG
(US10508086, Example 31 | US10995073, Example 31)
Show SMILES Cc1ccccc1C(=O)n1c2cc(ccc2n(C)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C20H21N3O4S/c1-13-6-4-5-7-15(13)18(24)23-17-12-14(8-9-16(17)22(3)19(23)25)28(26,27)21-20(2)10-11-20/h4-9,12,21H,10-11H2,1-3H3
PDB

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n/an/an/an/a 4.91E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421441
PNG
(US10508086, Example 32 | US10995073, Example 32)
Show SMILES CCNC(=O)n1c2cc(ccc2n(C)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C15H20N4O4S/c1-4-16-13(20)19-12-9-10(5-6-11(12)18(3)14(19)21)24(22,23)17-15(2)7-8-15/h5-6,9,17H,4,7-8H2,1-3H3,(H,16,20)
PDB

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n/an/an/an/a 6.86E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421442
PNG
(US10508086, Example 33 | US10995073, Example 33)
Show SMILES Cc1cccc(Cn2c3ccc(cc3n(C)c2=O)S(=O)(=O)NC2(C)CC2)c1
Show InChI InChI=1S/C20H23N3O3S/c1-14-5-4-6-15(11-14)13-23-17-8-7-16(12-18(17)22(3)19(23)24)27(25,26)21-20(2)9-10-20/h4-8,11-12,21H,9-10,13H2,1-3H3
PDB

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n/an/an/an/a 6.31E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421443
PNG
(US10508086, Example 34 | US10995073, Example 34)
Show SMILES Cc1ccc(Cn2c3ccc(cc3n(C)c2=O)S(=O)(=O)NC2(C)CC2)cc1
Show InChI InChI=1S/C20H23N3O3S/c1-14-4-6-15(7-5-14)13-23-17-9-8-16(12-18(17)22(3)19(23)24)27(25,26)21-20(2)10-11-20/h4-9,12,21H,10-11,13H2,1-3H3
PDB

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n/an/an/an/a 6.21E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421444
PNG
(US10508086, Example 35 | US10995073, Example 35)
Show SMILES COc1ccccc1Cn1c2ccc(cc2n(C)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C20H23N3O4S/c1-20(10-11-20)21-28(25,26)15-8-9-16-17(12-15)22(2)19(24)23(16)13-14-6-4-5-7-18(14)27-3/h4-9,12,21H,10-11,13H2,1-3H3
PDB

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n/an/an/an/a 7.69E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421445
PNG
(US10508086, Example 36 | US10995073, Example 36)
Show SMILES COc1cccc(Cn2c3ccc(cc3n(C)c2=O)S(=O)(=O)NC2(C)CC2)c1
Show InChI InChI=1S/C20H23N3O4S/c1-20(9-10-20)21-28(25,26)16-7-8-17-18(12-16)22(2)19(24)23(17)13-14-5-4-6-15(11-14)27-3/h4-8,11-12,21H,9-10,13H2,1-3H3
PDB

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n/an/an/an/a 6.17E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421446
PNG
(US10508086, Example 37 | US10995073, Example 37)
Show SMILES COc1ccc(Cn2c3ccc(cc3n(C)c2=O)S(=O)(=O)NC2(C)CC2)cc1
Show InChI InChI=1S/C20H23N3O4S/c1-20(10-11-20)21-28(25,26)16-8-9-17-18(12-16)22(2)19(24)23(17)13-14-4-6-15(27-3)7-5-14/h4-9,12,21H,10-11,13H2,1-3H3
PDB

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n/an/an/an/a 3.15E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421447
PNG
(US10508086, Example 38 | US10995073, Example 38)
Show SMILES Cn1c2cc(ccc2n(Cc2cccc(Cl)c2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C19H20ClN3O3S/c1-19(8-9-19)21-27(25,26)15-6-7-16-17(11-15)22(2)18(24)23(16)12-13-4-3-5-14(20)10-13/h3-7,10-11,21H,8-9,12H2,1-2H3
PDB

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n/an/an/an/a 5.72E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421448
PNG
(US10508086, Example 39 | US10995073, Example 39)
Show SMILES Cn1c2cc(ccc2n(Cc2ccc(Cl)cc2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C19H20ClN3O3S/c1-19(9-10-19)21-27(25,26)15-7-8-16-17(11-15)22(2)18(24)23(16)12-13-3-5-14(20)6-4-13/h3-8,11,21H,9-10,12H2,1-2H3
PDB

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n/an/an/an/a 3.74E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421449
PNG
(US10508086, Example 40 | US10995073, Example 40)
Show SMILES Cn1c2cc(ccc2n(Cc2ccccc2F)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C19H20FN3O3S/c1-19(9-10-19)21-27(25,26)14-7-8-16-17(11-14)22(2)18(24)23(16)12-13-5-3-4-6-15(13)20/h3-8,11,21H,9-10,12H2,1-2H3
PDB

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n/an/an/an/a 6.30E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421450
PNG
(US10508086, Example 41 | US10995073, Example 41)
Show SMILES Cn1c2cc(ccc2n(Cc2cccc(F)c2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C19H20FN3O3S/c1-19(8-9-19)21-27(25,26)15-6-7-16-17(11-15)22(2)18(24)23(16)12-13-4-3-5-14(20)10-13/h3-7,10-11,21H,8-9,12H2,1-2H3
PDB

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n/an/an/an/a 5.77E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421451
PNG
(US10508086, Example 42 | US10995073, Example 42)
Show SMILES Cn1c2cc(ccc2n(Cc2ccc(F)cc2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C19H20FN3O3S/c1-19(9-10-19)21-27(25,26)15-7-8-16-17(11-15)22(2)18(24)23(16)12-13-3-5-14(20)6-4-13/h3-8,11,21H,9-10,12H2,1-2H3
PDB

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n/an/an/an/a 2.35E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421452
PNG
(US10508086, Example 43 | US10995073, Example 43)
Show SMILES Cn1c2cc(ccc2n(Cc2ccccc2C#N)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C20H20N4O3S/c1-20(9-10-20)22-28(26,27)16-7-8-17-18(11-16)23(2)19(25)24(17)13-15-6-4-3-5-14(15)12-21/h3-8,11,22H,9-10,13H2,1-2H3
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 5.25E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421453
PNG
(US10508086, Example 44 | US10995073, Example 44)
Show SMILES Cn1c2cc(ccc2n(Cc2cccc(c2)C#N)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C20H20N4O3S/c1-20(8-9-20)22-28(26,27)16-6-7-17-18(11-16)23(2)19(25)24(17)13-15-5-3-4-14(10-15)12-21/h3-7,10-11,22H,8-9,13H2,1-2H3
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 3.35E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421454
PNG
(US10508086, Example 45 | US10995073, Example 45)
Show SMILES Cn1c2cc(ccc2n(Cc2ccc(cc2)C#N)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C20H20N4O3S/c1-20(9-10-20)22-28(26,27)16-7-8-17-18(11-16)23(2)19(25)24(17)13-15-5-3-14(12-21)4-6-15/h3-8,11,22H,9-10,13H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
n/an/an/an/a 3.20E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421455
PNG
(US10508086, Example 46 | US10995073, Example 46)
Show SMILES Cn1c2cc(ccc2n(Cc2ccccc2C(F)(F)F)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C20H20F3N3O3S/c1-19(9-10-19)24-30(28,29)14-7-8-16-17(11-14)25(2)18(27)26(16)12-13-5-3-4-6-15(13)20(21,22)23/h3-8,11,24H,9-10,12H2,1-2H3
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/an/a 9.75E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421456
PNG
(US10508086, Example 47 | US10995073, Example 47)
Show SMILES Cn1c2cc(ccc2n(Cc2c(F)cccc2F)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C19H19F2N3O3S/c1-19(8-9-19)22-28(26,27)12-6-7-16-17(10-12)23(2)18(25)24(16)11-13-14(20)4-3-5-15(13)21/h3-7,10,22H,8-9,11H2,1-2H3
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 5.72E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421457
PNG
(US10508086, Example 48 | US10995073, Example 48)
Show SMILES Cn1c2cc(ccc2n(Cc2cc(Cl)cc(Cl)c2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C19H19Cl2N3O3S/c1-19(5-6-19)22-28(26,27)15-3-4-16-17(10-15)23(2)18(25)24(16)11-12-7-13(20)9-14(21)8-12/h3-4,7-10,22H,5-6,11H2,1-2H3
PDB

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US Patent
n/an/an/an/a 7.83E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421458
PNG
(US10508086, Example 49 | US10995073, Example 49)
Show SMILES Cc1cc(C)cc(Cn2c3ccc(cc3n(C)c2=O)S(=O)(=O)NC2(C)CC2)c1
Show InChI InChI=1S/C21H25N3O3S/c1-14-9-15(2)11-16(10-14)13-24-18-6-5-17(12-19(18)23(4)20(24)25)28(26,27)22-21(3)7-8-21/h5-6,9-12,22H,7-8,13H2,1-4H3
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 5.07E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421459
PNG
(US10508086, Example 50 | US10995073, Example 50)
Show SMILES COc1cc(Cn2c3ccc(cc3n(C)c2=O)S(=O)(=O)NC2(C)CC2)cc(OC)c1
Show InChI InChI=1S/C21H25N3O5S/c1-21(7-8-21)22-30(26,27)17-5-6-18-19(12-17)23(2)20(25)24(18)13-14-9-15(28-3)11-16(10-14)29-4/h5-6,9-12,22H,7-8,13H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
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UniChem
US Patent
n/an/an/an/a 4.91E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
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