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Compile Data Set for Download or QSAR

Found 604 hits of ec50 for UniProtKB: Q86W56   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM621051
PNG
(US20230303556, Compound Formula (A))
Show SMILES C[C@H]1CN(C[C@H](C)N1)c1cc(cc2n(ncc12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(C)CC1 |r|
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n/an/an/an/a 1.90n/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM371055
PNG
(US10239843, Example 162)
Show SMILES Cc1ncc(Cn2c(=O)n(Cc3sc(C)nc3C)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C23H25N5O4S3/c1-13-20(34-15(3)25-13)12-27-19-6-5-17(35(31,32)26-23(4)7-8-23)9-18(19)21(29)28(22(27)30)11-16-10-24-14(2)33-16/h5-6,9-10,26H,7-8,11-12H2,1-4H3
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n/an/an/an/a 4.80n/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM371063
PNG
(US10239843, Example 170)
Show SMILES Cc1nc(C)c(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C23H26N6O4S2/c1-14-20(34-15(2)25-14)13-28-19-6-5-17(35(32,33)26-23(3)7-8-23)9-18(19)21(30)29(22(28)31)12-16-10-24-27(4)11-16/h5-6,9-11,26H,7-8,12-13H2,1-4H3
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM621061
PNG
(US20230303556, Example 43 from WO2021/055744)
Show SMILES CN(C)C(=O)N1CCN(CC1)c1cc(cc2n(ncc12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N
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Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM621060
PNG
(US20230303556, Example 24 from WO2021/055744)
Show SMILES CN(C)C(=O)N1CCN(CC1)c1cc(cc2n(ncc12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(C)CC1
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More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM371055
PNG
(US10239843, Example 162)
Show SMILES Cc1ncc(Cn2c(=O)n(Cc3sc(C)nc3C)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C23H25N5O4S3/c1-13-20(34-15(3)25-13)12-27-19-6-5-17(35(31,32)26-23(4)7-8-23)9-18(19)21(29)28(22(27)30)11-16-10-24-14(2)33-16/h5-6,9-10,26H,7-8,11-12H2,1-4H3
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM621062
PNG
(US20230303556, Example 35 from WO2021/055744)
Show SMILES C[C@@H]1CN(CCN1C(=O)N(C)C)c1cc(cc2n(ncc12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N |r|
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Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM621063
PNG
(US20230303556, Example 83 from WO2021/055744)
Show SMILES C[C@H]1CN(CCN1C(=O)N(C)C)c1cc(cc2n(ncc12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N |r|
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Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM621052
PNG
(US20230303556, Compound Formula (C))
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1cc(cc2n(ncc12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(C)CC1 |r|
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Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM616694
PNG
(US20230278998, Comparative Compound 1' | US2023030...)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1cc(cc2n(ncc12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N
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More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM371049
PNG
(US10239843, Example 156)
Show SMILES Cc1ncc(Cn2c(=O)n(CC3CC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C21H24N4O4S2/c1-13-22-10-15(30-13)12-25-19(26)17-9-16(31(28,29)23-21(2)7-8-21)5-6-18(17)24(20(25)27)11-14-3-4-14/h5-6,9-10,14,23H,3-4,7-8,11-12H2,1-2H3
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM371063
PNG
(US10239843, Example 170)
Show SMILES Cc1nc(C)c(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C23H26N6O4S2/c1-14-20(34-15(2)25-14)13-28-19-6-5-17(35(32,33)26-23(3)7-8-23)9-18(19)21(30)29(22(28)31)12-16-10-24-27(4)11-16/h5-6,9-11,26H,7-8,12-13H2,1-4H3
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM371066
PNG
(US10239843, Example 173)
Show SMILES Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(C)CC2)n(C)n1
Show InChI InChI=1S/C23H27N7O4S/c1-15-9-17(28(4)25-15)14-29-20-6-5-18(35(33,34)26-23(2)7-8-23)10-19(20)21(31)30(22(29)32)13-16-11-24-27(3)12-16/h5-6,9-12,26H,7-8,13-14H2,1-4H3
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM205479
PNG
(PDD00017273 (4) | US20230278998, Compound PDD00017...)
Show SMILES Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3cnc(C)s3)c2=O)S(=O)(=O)NC2(C)CC2)n(C)n1
Show InChI InChI=1S/C23H26N6O4S2/c1-14-9-16(27(4)25-14)12-28-20-6-5-18(35(32,33)26-23(3)7-8-23)10-19(20)21(30)29(22(28)31)13-17-11-24-15(2)34-17/h5-6,9-11,26H,7-8,12-13H2,1-4H3
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM371049
PNG
(US10239843, Example 156)
Show SMILES Cc1ncc(Cn2c(=O)n(CC3CC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C21H24N4O4S2/c1-13-22-10-15(30-13)12-25-19(26)17-9-16(31(28,29)23-21(2)7-8-21)5-6-18(17)24(20(25)27)11-14-3-4-14/h5-6,9-10,14,23H,3-4,7-8,11-12H2,1-2H3
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(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
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))		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
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 US10995073 (2021)


BindingDB Entry DOI: 10.7270/Q28K7D68
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM371067
PNG
(US10239843, Example 174)
Show SMILES Cn1cc(Cn2c(=O)n(CC3CC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)cn1
Show InChI InChI=1S/C21H25N5O4S/c1-21(7-8-21)23-31(29,30)16-5-6-18-17(9-16)19(27)26(13-15-10-22-24(2)11-15)20(28)25(18)12-14-3-4-14/h5-6,9-11,14,23H,3-4,7-8,12-13H2,1-2H3
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM205479
PNG
(PDD00017273 (4) | US20230278998, Compound PDD00017...)
Show SMILES Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3cnc(C)s3)c2=O)S(=O)(=O)NC2(C)CC2)n(C)n1
Show InChI InChI=1S/C23H26N6O4S2/c1-14-9-16(27(4)25-14)12-28-20-6-5-18(35(32,33)26-23(3)7-8-23)10-19(20)21(30)29(22(28)31)13-17-11-24-15(2)34-17/h5-6,9-11,26H,7-8,12-13H2,1-4H3
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM371100
PNG
(US10239843, Example 207 | US10239843, Example 285)
Show SMILES Cc1cc(Cn2c(=O)n(Cc3cc(C)nn3C)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)on1
Show InChI InChI=1S/C23H26N6O5S/c1-14-9-16(27(4)24-14)12-28-20-6-5-18(35(32,33)26-23(3)7-8-23)11-19(20)21(30)29(22(28)31)13-17-10-15(2)25-34-17/h5-6,9-11,26H,7-8,12-13H2,1-4H3
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM621056
PNG
(US20230303556, Example 82 from WO2021/055744)
Show SMILES CC(C)C(=O)N1CCN(C[C@H]1C)c1cc(cc2n(ncc12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N |r|
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More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(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
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 US10995073 (2021)


BindingDB Entry DOI: 10.7270/Q28K7D68
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(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
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))		BDBM371054
PNG
(US10239843, Example 161)
Show SMILES Cc1ncc(Cn2c(=O)n(CC#C)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C20H20N4O4S2/c1-4-9-23-17-6-5-15(30(27,28)22-20(3)7-8-20)10-16(17)18(25)24(19(23)26)12-14-11-21-13(2)29-14/h1,5-6,10-11,22H,7-9,12H2,2-3H3
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM371090
PNG
(US10239843, Example 197)
Show SMILES Cc1cc(Cn2c(=O)n(CC3CC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)on1
Show InChI InChI=1S/C21H24N4O5S/c1-13-9-15(30-22-13)12-25-19(26)17-10-16(31(28,29)23-21(2)7-8-21)5-6-18(17)24(20(25)27)11-14-3-4-14/h5-6,9-10,14,23H,3-4,7-8,11-12H2,1-2H3
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(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
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))		BDBM621053
PNG
(US20230303556, Compound Formula (B))
Show SMILES C[C@@H]1CN(C[C@@H](C)N1)c1cc(cc2n(ncc12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(C)CC1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(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
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 US10995073 (2021)


BindingDB Entry DOI: 10.7270/Q28K7D68
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM371071
PNG
(US10239843, Example 178)
Show SMILES Cn1cc(Cn2c(=O)n(CC#C)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)cn1
Show InChI InChI=1S/C20H21N5O4S/c1-4-9-24-17-6-5-15(30(28,29)22-20(2)7-8-20)10-16(17)18(26)25(19(24)27)13-14-11-21-23(3)12-14/h1,5-6,10-12,22H,7-9,13H2,2-3H3
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(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
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))		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
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 US10995073 (2021)


BindingDB Entry DOI: 10.7270/Q28K7D68
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(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
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 US10995073 (2021)


BindingDB Entry DOI: 10.7270/Q28K7D68
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(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
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))		BDBM371090
PNG
(US10239843, Example 197)
Show SMILES Cc1cc(Cn2c(=O)n(CC3CC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)on1
Show InChI InChI=1S/C21H24N4O5S/c1-13-9-15(30-22-13)12-25-19(26)17-10-16(31(28,29)23-21(2)7-8-21)5-6-18(17)24(20(25)27)11-14-3-4-14/h5-6,9-10,14,23H,3-4,7-8,11-12H2,1-2H3
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM371067
PNG
(US10239843, Example 174)
Show SMILES Cn1cc(Cn2c(=O)n(CC3CC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)cn1
Show InChI InChI=1S/C21H25N5O4S/c1-21(7-8-21)23-31(29,30)16-5-6-18-17(9-16)19(27)26(13-15-10-22-24(2)11-15)20(28)25(18)12-14-3-4-14/h5-6,9-11,14,23H,3-4,7-8,12-13H2,1-2H3
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM371505
PNG
(1-[(2,5-Dimethylpyrazol-3-yl)methyl]-N-(1-methylcy...)
Show SMILES Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3nnc(C)s3)c2=O)S(=O)(=O)NC2(C)CC2)n(C)n1
Show InChI InChI=1S/C22H25N7O4S2/c1-13-9-15(27(4)25-13)11-28-18-6-5-16(35(32,33)26-22(3)7-8-22)10-17(18)20(30)29(21(28)31)12-19-24-23-14(2)34-19/h5-6,9-10,26H,7-8,11-12H2,1-4H3
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(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
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))		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
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 US10995073 (2021)


BindingDB Entry DOI: 10.7270/Q28K7D68
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM421518
PNG
(US10508086, Example 108 | US10995073, Example 108)
Show SMILES Cc1nc(C)c(Cn2c3ccc(cc3n(-c3nc(Br)ns3)c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C19H19BrN6O3S3/c1-10-15(30-11(2)21-10)9-25-13-5-4-12(32(28,29)24-19(3)6-7-19)8-14(13)26(18(25)27)17-22-16(20)23-31-17/h4-5,8,24H,6-7,9H2,1-3H3
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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 US10995073 (2021)


BindingDB Entry DOI: 10.7270/Q28K7D68
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM421518
PNG
(US10508086, Example 108 | US10995073, Example 108)
Show SMILES Cc1nc(C)c(Cn2c3ccc(cc3n(-c3nc(Br)ns3)c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C19H19BrN6O3S3/c1-10-15(30-11(2)21-10)9-25-13-5-4-12(32(28,29)24-19(3)6-7-19)8-14(13)26(18(25)27)17-22-16(20)23-31-17/h4-5,8,24H,6-7,9H2,1-3H3
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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))		BDBM371190
PNG
(US10239843, Example 297)
Show SMILES Cn1cc(Cn2c(=O)n(CC3COC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)cn1
Show InChI InChI=1S/C21H25N5O5S/c1-21(5-6-21)23-32(29,30)16-3-4-18-17(7-16)19(27)26(10-14-8-22-24(2)9-14)20(28)25(18)11-15-12-31-13-15/h3-4,7-9,15,23H,5-6,10-13H2,1-2H3
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM421577
PNG
(BDBM495207 | US10508086, Example 167)
Show SMILES COCCn1c2cc(F)c(cc2n(-c2nnc(s2)C(F)F)c1=O)S(=O)(=O)NC1(CF)CC1
Show InChI InChI=1S/C17H17F4N5O4S2/c1-30-5-4-25-10-6-9(19)12(32(28,29)24-17(8-18)2-3-17)7-11(10)26(16(25)27)15-23-22-14(31-15)13(20)21/h6-7,13,24H,2-5,8H2,1H3
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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 US10995073 (2021)


BindingDB Entry DOI: 10.7270/Q28K7D68
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM421577
PNG
(BDBM495207 | US10508086, Example 167)
Show SMILES COCCn1c2cc(F)c(cc2n(-c2nnc(s2)C(F)F)c1=O)S(=O)(=O)NC1(CF)CC1
Show InChI InChI=1S/C17H17F4N5O4S2/c1-30-5-4-25-10-6-9(19)12(32(28,29)24-17(8-18)2-3-17)7-11(10)26(16(25)27)15-23-22-14(31-15)13(20)21/h6-7,13,24H,2-5,8H2,1H3
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Cancer Research Technology Limited

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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))		BDBM371091
PNG
(US10239843, Example 198)
Show SMILES Cc1cc(Cn2c(=O)n(CC#C)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)on1
Show InChI InChI=1S/C20H20N4O5S/c1-4-9-23-17-6-5-15(30(27,28)22-20(3)7-8-20)11-16(17)18(25)24(19(23)26)12-14-10-13(2)21-29-14/h1,5-6,10-11,22H,7-9,12H2,2-3H3
PDB

UniProtKB/SwissProt

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n/an/an/an/a 76n/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM621057
PNG
(US20230303556, Example 88 from WO2021/055744)
Show SMILES CC(C)C(=O)N1CCN(C[C@@H]1C)c1cc(cc2n(ncc12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N |r|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM371184
PNG
(US10239843, Example 291)
Show SMILES CCn1c2ccc(cc2c(=O)n(Cc2cnn(C)c2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C19H23N5O4S/c1-4-23-16-6-5-14(29(27,28)21-19(2)7-8-19)9-15(16)17(25)24(18(23)26)12-13-10-20-22(3)11-13/h5-6,9-11,21H,4,7-8,12H2,1-3H3
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n/an/an/an/a 78n/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM621058
PNG
(US20230303556, Example 89 from WO2021/055744)
Show SMILES CC(C)C(=O)N1[C@@H](C)CN(C[C@H]1C)c1cc(cc2n(ncc12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N |r|
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UniProtKB/SwissProt

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n/an/an/an/a 79n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM371054
PNG
(US10239843, Example 161)
Show SMILES Cc1ncc(Cn2c(=O)n(CC#C)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C20H20N4O4S2/c1-4-9-23-17-6-5-15(30(27,28)22-20(3)7-8-20)10-16(17)18(25)24(19(23)26)12-14-11-21-13(2)29-14/h1,5-6,10-11,22H,7-9,12H2,2-3H3
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n/an/an/an/a 82n/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...

J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM421517
PNG
(US10508086, Example 107 | US10995073, Example 107)
Show SMILES Cc1cnc(s1)-n1c2cc(ccc2n(Cc2sc(C)nc2C)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C21H23N5O3S3/c1-12-10-22-19(30-12)26-17-9-15(32(28,29)24-21(4)7-8-21)5-6-16(17)25(20(26)27)11-18-13(2)23-14(3)31-18/h5-6,9-10,24H,7-8,11H2,1-4H3
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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 US10995073 (2021)


BindingDB Entry DOI: 10.7270/Q28K7D68
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))		BDBM421517
PNG
(US10508086, Example 107 | US10995073, Example 107)
Show SMILES Cc1cnc(s1)-n1c2cc(ccc2n(Cc2sc(C)nc2C)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C21H23N5O3S3/c1-12-10-22-19(30-12)26-17-9-15(32(28,29)24-21(4)7-8-21)5-6-16(17)25(20(26)27)11-18-13(2)23-14(3)31-18/h5-6,9-10,24H,7-8,11H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
n/an/an/an/a 86n/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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