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Compile Data Set for Download or QSAR

Found 253 hits Enz. Inhib. hit(s) with all data for 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
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421556
PNG
(3-[(4-Fluorophenyl)methyl]-N-(1-methylcyclopropyl)...)
Show SMILES Cc1nnc(s1)-n1nc(Cc2ccc(F)cc2)c2ccc(cc12)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C21H20FN5O2S2/c1-13-23-24-20(30-13)27-19-12-16(31(28,29)26-21(2)9-10-21)7-8-17(19)18(25-27)11-14-3-5-15(22)6-4-14/h3-8,12,26H,9-11H2,1-2H3
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n/an/a>1.67E+4n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421539
PNG
(3-[(2,4-Dimethylthiazol-5-yl)methyl]-N-(1-methylcy...)
Show SMILES Cc1nnc(s1)-n1cc(Cc2sc(C)nc2C)c2ccc(cc12)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C21H23N5O2S3/c1-12-19(29-13(2)22-12)9-15-11-26(20-24-23-14(3)30-20)18-10-16(5-6-17(15)18)31(27,28)25-21(4)7-8-21/h5-6,10-11,25H,7-9H2,1-4H3
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Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421584
PNG
(3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-flu...)
Show SMILES Cn1c2cc(F)c(cc2n(-c2nnc(s2)C(F)F)c1=O)S(=O)(=O)NC1(CF)CC1
Show InChI InChI=1S/C15H13F4N5O3S2/c1-23-8-4-7(17)10(29(26,27)22-15(6-16)2-3-15)5-9(8)24(14(23)25)13-21-20-12(28-13)11(18)19/h4-5,11,22H,2-3,6H2,1H3
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Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421497
PNG
(US10508086, Example 87 | US10995073, Example 87)
Show SMILES Cc1nnc(s1)-n1c2cc(ccc2n(Cc2sc(C)nc2C)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C20H22N6O3S3/c1-11-17(30-12(2)21-11)10-25-15-6-5-14(32(28,29)24-20(4)7-8-20)9-16(15)26(19(25)27)18-23-22-13(3)31-18/h5-6,9,24H,7-8,10H2,1-4H3
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n/an/a 7.67E+4n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421492
PNG
(US10508086, Example 82 | US10995073, Example 82)
Show SMILES Cc1nnc(s1)-n1c2cc(ccc2n(CC2CC2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C18H21N5O3S2/c1-11-19-20-16(27-11)23-15-9-13(28(25,26)21-18(2)7-8-18)5-6-14(15)22(17(23)24)10-12-3-4-12/h5-6,9,12,21H,3-4,7-8,10H2,1-2H3
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Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421498
PNG
(US10508086, Example 88 | US10995073, Example 88)
Show SMILES Cc1nc(C)c(Cn2c3ccc(cc3n(-c3nnc(s3)C(F)F)c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C20H20F2N6O3S3/c1-10-15(32-11(2)23-10)9-27-13-5-4-12(34(30,31)26-20(3)6-7-20)8-14(13)28(19(27)29)18-25-24-17(33-18)16(21)22/h4-5,8,16,26H,6-7,9H2,1-3H3
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Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421488
PNG
(US10508086, Example 79 | US10995073, Example 79)
Show SMILES Cn1c2ccc(cc2n(-c2nnc(s2)C(F)F)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C15H15F2N5O3S2/c1-15(5-6-15)20-27(24,25)8-3-4-9-10(7-8)22(14(23)21(9)2)13-19-18-12(26-13)11(16)17/h3-4,7,11,20H,5-6H2,1-2H3
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Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421493
PNG
(US10508086, Example 83 | US10995073, Example 83)
Show SMILES Cc1ncc(Cn2c3ccc(cc3n(-c3nnc(C)s3)c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C19H20N6O3S3/c1-11-20-9-13(29-11)10-24-15-5-4-14(31(27,28)23-19(3)6-7-19)8-16(15)25(18(24)26)17-22-21-12(2)30-17/h4-5,8-9,23H,6-7,10H2,1-3H3
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Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421482
PNG
(US10508086, Example 73 | US10995073, Example 73)
Show SMILES Cc1nnc(s1)-n1c2cc(ccc2n(Cc2ccc(F)cc2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C21H20FN5O3S2/c1-13-23-24-19(31-13)27-18-11-16(32(29,30)25-21(2)9-10-21)7-8-17(18)26(20(27)28)12-14-3-5-15(22)6-4-14/h3-8,11,25H,9-10,12H2,1-2H3
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Cancer Research Technology Limited

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Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM205480
PNG
(PDD00017238 (5) | US10508086, Example 90 | US10995...)
Show SMILES Cc1nc(C)c(Cn2c3ccc(cc3n(-c3ncns3)c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C19H20N6O3S3/c1-11-16(29-12(2)22-11)9-24-14-5-4-13(31(27,28)23-19(3)6-7-19)8-15(14)25(18(24)26)17-20-10-21-30-17/h4-5,8,10,23H,6-7,9H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM421528
PNG
(US10508086, Example 118 | US10995073, Example 118)
Show SMILES Cc1cc(Cc2nc3ccc(cc3n2-c2nnc(C)s2)S(=O)(=O)NC2(C)CC2)on1
Show InChI InChI=1S/C19H20N6O3S2/c1-11-8-13(28-23-11)9-17-20-15-5-4-14(30(26,27)24-19(3)6-7-19)10-16(15)25(17)18-22-21-12(2)29-18/h4-5,8,10,24H,6-7,9H2,1-3H3
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Cancer Research Technology Limited

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Assay Description
PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421529
PNG
(US10508086, Example 119 | US10995073, Example 119)
Show SMILES Cc1nnc(s1)-n1cnc2ccc(cc12)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C14H15N5O2S2/c1-9-16-17-13(22-9)19-8-15-11-4-3-10(7-12(11)19)23(20,21)18-14(2)5-6-14/h3-4,7-8,18H,5-6H2,1-2H3
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Cancer Research Technology Limited

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Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM421539
PNG
(3-[(2,4-Dimethylthiazol-5-yl)methyl]-N-(1-methylcy...)
Show SMILES Cc1nnc(s1)-n1cc(Cc2sc(C)nc2C)c2ccc(cc12)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C21H23N5O2S3/c1-12-19(29-13(2)22-12)9-15-11-26(20-24-23-14(3)30-20)18-10-16(5-6-17(15)18)31(27,28)25-21(4)7-8-21/h5-6,10-11,25H,7-9H2,1-4H3
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Cancer Research Technology Limited

US Patent


Assay Description
PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM421529
PNG
(US10508086, Example 119 | US10995073, Example 119)
Show SMILES Cc1nnc(s1)-n1cnc2ccc(cc12)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C14H15N5O2S2/c1-9-16-17-13(22-9)19-8-15-11-4-3-10(7-12(11)19)23(20,21)18-14(2)5-6-14/h3-4,7-8,18H,5-6H2,1-2H3
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Cancer Research Technology Limited

US Patent


Assay Description
PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421555
PNG
(3-(Cyclopropanecarbonyl)-1-[5-(difluoromethyl)-1,3...)
Show SMILES CC1(CC1)NS(=O)(=O)c1ccc2c(cn(-c3nnc(s3)C(F)F)c2c1)C(=O)C1CC1
Show InChI InChI=1S/C19H18F2N4O3S2/c1-19(6-7-19)24-30(27,28)11-4-5-12-13(15(26)10-2-3-10)9-25(14(12)8-11)18-23-22-17(29-18)16(20)21/h4-5,8-10,16,24H,2-3,6-7H2,1H3
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Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM421555
PNG
(3-(Cyclopropanecarbonyl)-1-[5-(difluoromethyl)-1,3...)
Show SMILES CC1(CC1)NS(=O)(=O)c1ccc2c(cn(-c3nnc(s3)C(F)F)c2c1)C(=O)C1CC1
Show InChI InChI=1S/C19H18F2N4O3S2/c1-19(6-7-19)24-30(27,28)11-4-5-12-13(15(26)10-2-3-10)9-25(14(12)8-11)18-23-22-17(29-18)16(20)21/h4-5,8-10,16,24H,2-3,6-7H2,1H3
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Cancer Research Technology Limited

US Patent


Assay Description
PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM421556
PNG
(3-[(4-Fluorophenyl)methyl]-N-(1-methylcyclopropyl)...)
Show SMILES Cc1nnc(s1)-n1nc(Cc2ccc(F)cc2)c2ccc(cc12)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C21H20FN5O2S2/c1-13-23-24-20(30-13)27-19-12-16(31(28,29)26-21(2)9-10-21)7-8-17(19)18(25-27)11-14-3-5-15(22)6-4-14/h3-8,12,26H,9-11H2,1-2H3
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Cancer Research Technology Limited

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Assay Description
PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM421584
PNG
(3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-flu...)
Show SMILES Cn1c2cc(F)c(cc2n(-c2nnc(s2)C(F)F)c1=O)S(=O)(=O)NC1(CF)CC1
Show InChI InChI=1S/C15H13F4N5O3S2/c1-23-8-4-7(17)10(29(26,27)22-15(6-16)2-3-15)5-9(8)24(14(23)25)13-21-20-12(28-13)11(18)19/h4-5,11,22H,2-3,6H2,1H3
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Cancer Research Technology Limited

US Patent


Assay Description
PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421610
PNG
(3-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-ethy...)
Show SMILES CCn1c2cc(F)c(cc2n(-c2nnc(o2)C(F)F)c1=O)S(=O)(=O)NC1(CF)CC1
Show InChI InChI=1S/C16H15F4N5O4S/c1-2-24-9-5-8(18)11(30(27,28)23-16(7-17)3-4-16)6-10(9)25(15(24)26)14-22-21-13(29-14)12(19)20/h5-6,12,23H,2-4,7H2,1H3
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Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421618
PNG
(3-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-eth...)
Show SMILES CCn1c2cc(F)c(cc2n(-c2nnc(s2)C(F)F)c1=O)S(=O)(=O)NC1(CF)CC1
Show InChI InChI=1S/C16H15F4N5O3S2/c1-2-24-9-5-8(18)11(30(27,28)23-16(7-17)3-4-16)6-10(9)25(15(24)26)14-22-21-13(29-14)12(19)20/h5-6,12,23H,2-4,7H2,1H3
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Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM421618
PNG
(3-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-eth...)
Show SMILES CCn1c2cc(F)c(cc2n(-c2nnc(s2)C(F)F)c1=O)S(=O)(=O)NC1(CF)CC1
Show InChI InChI=1S/C16H15F4N5O3S2/c1-2-24-9-5-8(18)11(30(27,28)23-16(7-17)3-4-16)6-10(9)25(15(24)26)14-22-21-13(29-14)12(19)20/h5-6,12,23H,2-4,7H2,1H3
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Cancer Research Technology Limited

US Patent


Assay Description
PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421621
PNG
(US10508086, Example 211 | US10995073, Example 211)
Show SMILES CC1(CC1)NS(=O)(=O)c1cc2n(-c3nnc(o3)C(F)F)c(=O)n(CCF)c2cc1F
Show InChI InChI=1S/C16H15F4N5O4S/c1-16(2-3-16)23-30(27,28)11-7-10-9(6-8(11)18)24(5-4-17)15(26)25(10)14-22-21-13(29-14)12(19)20/h6-7,12,23H,2-5H2,1H3
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Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421622
PNG
(3-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-fluo...)
Show SMILES FCCn1c2cc(F)c(cc2n(-c2nnc(o2)C(F)F)c1=O)S(=O)(=O)NC1(CF)CC1
Show InChI InChI=1S/C16H14F5N5O4S/c17-3-4-25-9-5-8(19)11(31(28,29)24-16(7-18)1-2-16)6-10(9)26(15(25)27)14-23-22-13(30-14)12(20)21/h5-6,12,24H,1-4,7H2
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Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421623
PNG
(US10508086, Example 213 | US10995073, Example 213)
Show SMILES FCC1(CC1)NS(=O)(=O)c1cc2n(-c3nnc(s3)C(F)F)c(=O)n(CC#C)c2cc1F
Show InChI InChI=1S/C17H13F4N5O3S2/c1-2-5-25-10-6-9(19)12(31(28,29)24-17(8-18)3-4-17)7-11(10)26(16(25)27)15-23-22-14(30-15)13(20)21/h1,6-7,13,24H,3-5,8H2
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Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421528
PNG
(US10508086, Example 118 | US10995073, Example 118)
Show SMILES Cc1cc(Cc2nc3ccc(cc3n2-c2nnc(C)s2)S(=O)(=O)NC2(C)CC2)on1
Show InChI InChI=1S/C19H20N6O3S2/c1-11-8-13(28-23-11)9-17-20-15-5-4-14(30(26,27)24-19(3)6-7-19)10-16(15)25(17)18-22-21-12(2)29-18/h4-5,8,10,24H,6-7,9H2,1-3H3
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Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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
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Cancer Research Technology Limited

US Patent


Assay Description
PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(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
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Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM205480
PNG
(PDD00017238 (5) | US10508086, Example 90 | US10995...)
Show SMILES Cc1nc(C)c(Cn2c3ccc(cc3n(-c3ncns3)c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C19H20N6O3S3/c1-11-16(29-12(2)22-11)9-24-14-5-4-13(31(27,28)23-19(3)6-7-19)8-15(14)25(18(24)26)17-20-10-21-30-17/h4-5,8,10,23H,6-7,9H2,1-3H3
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Cancer Research Technology Limited

US Patent


Assay Description
PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM421498
PNG
(US10508086, Example 88 | US10995073, Example 88)
Show SMILES Cc1nc(C)c(Cn2c3ccc(cc3n(-c3nnc(s3)C(F)F)c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C20H20F2N6O3S3/c1-10-15(32-11(2)23-10)9-27-13-5-4-12(34(30,31)26-20(3)6-7-20)8-14(13)28(19(27)29)18-25-24-17(33-18)16(21)22/h4-5,8,16,26H,6-7,9H2,1-3H3
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Cancer Research Technology Limited

US Patent


Assay Description
PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM421497
PNG
(US10508086, Example 87 | US10995073, Example 87)
Show SMILES Cc1nnc(s1)-n1c2cc(ccc2n(Cc2sc(C)nc2C)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C20H22N6O3S3/c1-11-17(30-12(2)21-11)10-25-15-6-5-14(32(28,29)24-20(4)7-8-20)9-16(15)26(19(25)27)18-23-22-13(3)31-18/h5-6,9,24H,7-8,10H2,1-4H3
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Cancer Research Technology Limited

US Patent


Assay Description
PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM421493
PNG
(US10508086, Example 83 | US10995073, Example 83)
Show SMILES Cc1ncc(Cn2c3ccc(cc3n(-c3nnc(C)s3)c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C19H20N6O3S3/c1-11-20-9-13(29-11)10-24-15-5-4-14(31(27,28)23-19(3)6-7-19)8-16(15)25(18(24)26)17-22-21-12(2)30-17/h4-5,8-9,23H,6-7,10H2,1-3H3
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Cancer Research Technology Limited

US Patent


Assay Description
PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM421492
PNG
(US10508086, Example 82 | US10995073, Example 82)
Show SMILES Cc1nnc(s1)-n1c2cc(ccc2n(CC2CC2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C18H21N5O3S2/c1-11-19-20-16(27-11)23-15-9-13(28(25,26)21-18(2)7-8-18)5-6-14(15)22(17(23)24)10-12-3-4-12/h5-6,9,12,21H,3-4,7-8,10H2,1-2H3
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Cancer Research Technology Limited

US Patent


Assay Description
PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM421488
PNG
(US10508086, Example 79 | US10995073, Example 79)
Show SMILES Cn1c2ccc(cc2n(-c2nnc(s2)C(F)F)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C15H15F2N5O3S2/c1-15(5-6-15)20-27(24,25)8-3-4-9-10(7-8)22(14(23)21(9)2)13-19-18-12(26-13)11(16)17/h3-4,7,11,20H,5-6H2,1-2H3
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Cancer Research Technology Limited

US Patent


Assay Description
PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421626
PNG
(3-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-flu...)
Show SMILES FCCn1c2cc(F)c(cc2n(-c2nnc(s2)C(F)F)c1=O)S(=O)(=O)NC1(CF)CC1
Show InChI InChI=1S/C16H14F5N5O3S2/c17-3-4-25-9-5-8(19)11(31(28,29)24-16(7-18)1-2-16)6-10(9)26(15(25)27)14-23-22-13(30-14)12(20)21/h5-6,12,24H,1-4,7H2
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Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM421482
PNG
(US10508086, Example 73 | US10995073, Example 73)
Show SMILES Cc1nnc(s1)-n1c2cc(ccc2n(Cc2ccc(F)cc2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C21H20FN5O3S2/c1-13-23-24-19(31-13)27-18-11-16(32(29,30)25-21(2)9-10-21)7-8-17(18)26(20(27)28)12-14-3-5-15(22)6-4-14/h3-8,11,25H,9-10,12H2,1-2H3
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Cancer Research Technology Limited

US Patent


Assay Description
PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...


US Patent US10508086 (2019)


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