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Compile Data Set for Download or QSAR

Found 123 hits Enz. Inhib. hit(s) with all data for entry = 7634   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207586
PNG
(US10501467, Example 31 | US9260440, 31 | US9617273...)
Show SMILES CC1(C)Cc2n(CCN3CCCCC3)c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C22H28N4O/c1-22(2)13-16-20-18(14-22)26(12-11-25-9-4-3-5-10-25)17-8-6-7-15(19(17)20)21(27)24-23-16/h6-8H,3-5,9-14H2,1-2H3,(H,24,27)
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207602
PNG
(US10501467, Example 47 | US9260440, 47 | US9617273...)
Show SMILES O=C(C1CC1)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C16H14N4O2/c21-15-9-2-1-3-10-13(9)14-11(17-10)6-20(7-12(14)18-19-15)16(22)8-4-5-8/h1-3,8,17H,4-7H2,(H,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207576
PNG
(US10501467, Example 21 | US9260440, 21 | US9617273...)
Show SMILES Fc1cc2[nH]c3CN(Cc4n[nH]c(=O)c(c1)c2c34)C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H15FN4O3/c21-12-6-13-17-14(7-12)22-15-8-25(9-16(18(15)17)23-24-19(13)26)20(27)28-10-11-4-2-1-3-5-11/h1-7,22H,8-10H2,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207588
PNG
(US10501467, Example 33 | US9260440, 33 | US9617273...)
Show SMILES CCN(CC)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23
Show InChI InChI=1S/C21H28N4O/c1-5-24(6-2)10-11-25-16-9-7-8-14-18(16)19-15(22-23-20(14)26)12-21(3,4)13-17(19)25/h7-9H,5-6,10-13H2,1-4H3,(H,23,26)
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207623
PNG
(US10501467, Example 68 | US9260440, 68 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cccc4[nH]c2c1c34 |r|
Show InChI InChI=1S/C16H14N4O/c1-16-6-3-7-20(16)8-11-13-12-9(15(21)19-18-11)4-2-5-10(12)17-14(13)16/h2,4-5H,3,6-8H2,1H3/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207575
PNG
(US10501467, Example 20 | US9260440, 20 | US9617273...)
Show SMILES O=C(OCc1ccccc1)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C20H16N4O3/c25-19-13-7-4-8-14-17(13)18-15(21-14)9-24(10-16(18)22-23-19)20(26)27-11-12-5-2-1-3-6-12/h1-8,21H,9-11H2,(H,23,25)
PDB

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n/an/a 0.5n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207624
PNG
(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34 |r|
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
PDB

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n/an/a 0.5n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207570
PNG
(US10501467, Example 15 | US9260440, 15 | US9617273...)
Show SMILES CC1(C)Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C15H15N3O/c1-15(2)6-10-13-11(7-15)17-18-14(19)8-4-3-5-9(16-10)12(8)13/h3-5,16H,6-7H2,1-2H3,(H,18,19)
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207569
PNG
(US10501467, Example 19 | US9260440, 14 | US9260440...)
Show SMILES CC1(C)CCc2[nH]c3cc(F)cc4c3c2c1n[nH]c4=O
Show InChI InChI=1S/C15H14FN3O/c1-15(2)4-3-9-12-11-8(14(20)19-18-13(12)15)5-7(16)6-10(11)17-9/h5-6,17H,3-4H2,1-2H3,(H,19,20)
PDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207571
PNG
(US10501467, Example 16 | US9260440, 16 | US9617273...)
Show SMILES CC1(C)Cc2[nH]c3ccc(F)c4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C15H14FN3O/c1-15(2)5-9-12-10(6-15)18-19-14(20)11-7(16)3-4-8(17-9)13(11)12/h3-4,17H,5-6H2,1-2H3,(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207569
PNG
(US10501467, Example 19 | US9260440, 14 | US9260440...)
Show SMILES CC1(C)CCc2[nH]c3cc(F)cc4c3c2c1n[nH]c4=O
Show InChI InChI=1S/C15H14FN3O/c1-15(2)4-3-9-12-11-8(14(20)19-18-13(12)15)5-7(16)6-10(11)17-9/h5-6,17H,3-4H2,1-2H3,(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207600
PNG
(US10501467, Example 45 | US9260440, 45 | US9617273...)
Show SMILES CC(C)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C15H16N4O/c1-8(2)19-6-11-14-12(7-19)17-18-15(20)9-4-3-5-10(16-11)13(9)14/h3-5,8,16H,6-7H2,1-2H3,(H,18,20)
PDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207562
PNG
(US10501467, Example 7 | US9260440, 7 | US9617273, ...)
Show SMILES Fc1cc2[nH]c3CCCc4n[nH]c(=O)c(c1)c2c34
Show InChI InChI=1S/C13H10FN3O/c14-6-4-7-11-10(5-6)15-8-2-1-3-9(12(8)11)16-17-13(7)18/h4-5,15H,1-3H2,(H,17,18)
PDB

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UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207624
PNG
(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34 |r|
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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PDB
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PDB
US Patent
n/an/a 0.900n/an/an/an/a8.0n/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207581
PNG
(US10501467, Example 26 | US9260440, 26 | US9617273...)
Show SMILES CC1(C)Cc2n[nH]c(=O)c3cc(F)cc4[nH]c(C1=O)c2c34
Show InChI InChI=1S/C15H12FN3O2/c1-15(2)5-9-11-10-7(14(21)19-18-9)3-6(16)4-8(10)17-12(11)13(15)20/h3-4,17H,5H2,1-2H3,(H,19,21)
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207617
PNG
(US9260440, 62 | US9617273, Example 62)
Show SMILES CC(C)(N)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C16H17N5O2/c1-16(2,17)15(23)21-6-10-13-11(7-21)19-20-14(22)8-4-3-5-9(18-10)12(8)13/h3-5,18H,6-7,17H2,1-2H3,(H,20,22)
PDB

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n/an/a 1n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207623
PNG
(US10501467, Example 68 | US9260440, 68 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cccc4[nH]c2c1c34 |r|
Show InChI InChI=1S/C16H14N4O/c1-16-6-3-7-20(16)8-11-13-12-9(15(21)19-18-11)4-2-5-10(12)17-14(13)16/h2,4-5H,3,6-8H2,1H3/t16-/m1/s1
PDB
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n/an/a 1.10n/an/an/an/a8.0n/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207557
PNG
(US9260440, 2 | US9617273, Example 2)
Show SMILES O=c1[nH]nc2CCCCc3[nH]c4cccc1c4c23
Show InChI InChI=1S/C14H13N3O/c18-14-8-4-3-7-9-12(8)13-10(15-9)5-1-2-6-11(13)16-17-14/h3-4,7,15H,1-2,5-6H2,(H,17,18)
PDB

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n/an/a 1.10n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207561
PNG
(US10501467, Example 6 | US9260440, 6 | US9617273, ...)
Show SMILES CC(C)C1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C16H15N3O/c1-8(2)9-6-12-15-13(7-9)18-19-16(20)10-4-3-5-11(17-12)14(10)15/h3-5,8-9H,6-7H2,1-2H3
PDB

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n/an/a 1.10n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207606
PNG
(US10501467, Example 51 | US9260440, 51 | US9617273...)
Show SMILES CC(C)(C)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C17H18N4O2/c1-17(2,3)16(23)21-7-11-14-12(8-21)19-20-15(22)9-5-4-6-10(18-11)13(9)14/h4-6,18H,7-8H2,1-3H3,(H,20,22)
PDB

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n/an/a 1.30n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207560
PNG
(US9260440, 5 | US9617273, Example 5)
Show SMILES O=c1[nH]nc2CC(Cc3[nH]c4cccc1c4c23)c1ccccc1
Show InChI InChI=1S/C19H13N3O/c23-19-13-7-4-8-14-17(13)18-15(20-14)9-12(10-16(18)21-22-19)11-5-2-1-3-6-11/h1-8,12H,9-10H2
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BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207558
PNG
(US10501467, Example 3 | US9260440, 3 | US9617273, ...)
Show SMILES CC1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C14H11N3O/c1-7-5-10-13-11(6-7)16-17-14(18)8-3-2-4-9(15-10)12(8)13/h2-4,7H,5-6H2,1H3
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BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207556
PNG
(US10501467, Example 2 | US9260440, 1 | US9617273, ...)
Show SMILES O=c1[nH]nc2CCCc3[nH]c4cccc1c4c23
Show InChI InChI=1S/C13H11N3O/c17-13-7-3-1-4-8-11(7)12-9(14-8)5-2-6-10(12)15-16-13/h1,3-4,14H,2,5-6H2,(H,16,17)
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BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207604
PNG
(US10501467, Example 49 | US9260440, 49 | US9617273...)
Show SMILES Fc1cc2[nH]c3CN(Cc4n[nH]c(=O)c(c1)c2c34)C(=O)C1CC1
Show InChI InChI=1S/C16H13FN4O2/c17-8-3-9-13-10(4-8)18-11-5-21(16(23)7-1-2-7)6-12(14(11)13)19-20-15(9)22/h3-4,7,18H,1-2,5-6H2,(H,20,22)
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207617
PNG
(US9260440, 62 | US9617273, Example 62)
Show SMILES CC(C)(N)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C16H17N5O2/c1-16(2,17)15(23)21-6-10-13-11(7-21)19-20-14(22)8-4-3-5-9(18-10)12(8)13/h3-5,18H,6-7,17H2,1-2H3,(H,20,22)
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207586
PNG
(US10501467, Example 31 | US9260440, 31 | US9617273...)
Show SMILES CC1(C)Cc2n(CCN3CCCCC3)c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C22H28N4O/c1-22(2)13-16-20-18(14-22)26(12-11-25-9-4-3-5-10-25)17-8-6-7-15(19(17)20)21(27)24-23-16/h6-8H,3-5,9-14H2,1-2H3,(H,24,27)
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207566
PNG
(US10501467, Example 11 | US9260440, 11 | US9617273...)
Show SMILES CC(C)C1Cc2[nH]c3cc(F)cc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C16H14FN3O/c1-7(2)8-3-11-15-13(4-8)19-20-16(21)10-5-9(17)6-12(18-11)14(10)15/h5-8H,3-4H2,1-2H3
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207602
PNG
(US10501467, Example 47 | US9260440, 47 | US9617273...)
Show SMILES O=C(C1CC1)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C16H14N4O2/c21-15-9-2-1-3-10-13(9)14-11(17-10)6-20(7-12(14)18-19-15)16(22)8-4-5-8/h1-3,8,17H,4-7H2,(H,19,21)
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207588
PNG
(US10501467, Example 33 | US9260440, 33 | US9617273...)
Show SMILES CCN(CC)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23
Show InChI InChI=1S/C21H28N4O/c1-5-24(6-2)10-11-25-16-9-7-8-14-18(16)19-15(22-23-20(14)26)12-21(3,4)13-17(19)25/h7-9H,5-6,10-13H2,1-4H3,(H,23,26)
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207614
PNG
(US10501467, Example 59 | US9260440, 59 | US9617273...)
Show SMILES CCCCN1Cc2[nH]c3cc(F)cc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C16H17FN4O/c1-2-3-4-21-7-12-15-13(8-21)19-20-16(22)10-5-9(17)6-11(18-12)14(10)15/h5-6,18H,2-4,7-8H2,1H3,(H,20,22)
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207612
PNG
(US10501467, Example 57 | US9260440, 57 | US9617273...)
Show SMILES CCCN1Cc2[nH]c3cc(F)cc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C15H15FN4O/c1-2-3-20-6-11-14-12(7-20)18-19-15(21)9-4-8(16)5-10(17-11)13(9)14/h4-5,17H,2-3,6-7H2,1H3,(H,19,21)
PDB
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207613
PNG
(US10501467, Example 58 | US9260440, 58 | US9617273...)
Show SMILES CCN1Cc2[nH]c3cc(F)cc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C14H13FN4O/c1-2-19-5-10-13-11(6-19)17-18-14(20)8-3-7(15)4-9(16-10)12(8)13/h3-4,16H,2,5-6H2,1H3,(H,18,20)
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207601
PNG
(US10501467, Example 46 | US9260440, 46 | US9617273...)
Show SMILES CC(C)N1Cc2[nH]c3cc(F)cc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C15H15FN4O/c1-7(2)20-5-11-14-12(6-20)18-19-15(21)9-3-8(16)4-10(17-11)13(9)14/h3-4,7,17H,5-6H2,1-2H3,(H,19,21)
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207564
PNG
(US10501467, Example 9 | US9260440, 9 | US9617273, ...)
Show SMILES CC1(C)Cc2[nH]c3cc(F)cc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C15H14FN3O/c1-15(2)5-10-13-11(6-15)18-19-14(20)8-3-7(16)4-9(17-10)12(8)13/h3-4,17H,5-6H2,1-2H3,(H,19,20)
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207569
PNG
(US10501467, Example 19 | US9260440, 14 | US9260440...)
Show SMILES CC1(C)CCc2[nH]c3cc(F)cc4c3c2c1n[nH]c4=O
Show InChI InChI=1S/C15H14FN3O/c1-15(2)4-3-9-12-11-8(14(20)19-18-13(12)15)5-7(16)6-10(11)17-9/h5-6,17H,3-4H2,1-2H3,(H,19,20)
PDB
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207569
PNG
(US10501467, Example 19 | US9260440, 14 | US9260440...)
Show SMILES CC1(C)CCc2[nH]c3cc(F)cc4c3c2c1n[nH]c4=O
Show InChI InChI=1S/C15H14FN3O/c1-15(2)4-3-9-12-11-8(14(20)19-18-13(12)15)5-7(16)6-10(11)17-9/h5-6,17H,3-4H2,1-2H3,(H,19,20)
PDB
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207583
PNG
(US10501467, Example 28 | US9260440, 28 | US9617273...)
Show SMILES CN(C)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23
Show InChI InChI=1S/C19H24N4O/c1-19(2)10-13-17-15(11-19)23(9-8-22(3)4)14-7-5-6-12(16(14)17)18(24)21-20-13/h5-7H,8-11H2,1-4H3,(H,21,24)
PDB
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207610
PNG
(US10501467, Example 55 | US9260440, 55 | US9617273...)
Show SMILES CN1Cc2[nH]c3cc(F)cc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C13H11FN4O/c1-18-4-9-12-10(5-18)16-17-13(19)7-2-6(14)3-8(15-9)11(7)12/h2-3,15H,4-5H2,1H3,(H,17,19)
PDB
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207565
PNG
(US10501467, Example 10 | US9260440, 10 | US9617273...)
Show SMILES Fc1cc2[nH]c3CC(Cc4n[nH]c(=O)c(c1)c2c34)c1ccccc1
Show InChI InChI=1S/C19H12FN3O/c20-12-8-13-17-15(9-12)21-14-6-11(10-4-2-1-3-5-10)7-16(18(14)17)22-23-19(13)24/h1-5,8-9,11H,6-7H2
PDB
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207561
PNG
(US10501467, Example 6 | US9260440, 6 | US9617273, ...)
Show SMILES CC(C)C1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C16H15N3O/c1-8(2)9-6-12-15-13(7-9)18-19-16(20)10-4-3-5-11(17-12)14(10)15/h3-5,8-9H,6-7H2,1-2H3
PDB
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207562
PNG
(US10501467, Example 7 | US9260440, 7 | US9617273, ...)
Show SMILES Fc1cc2[nH]c3CCCc4n[nH]c(=O)c(c1)c2c34
Show InChI InChI=1S/C13H10FN3O/c14-6-4-7-11-10(5-6)15-8-2-1-3-9(12(8)11)16-17-13(7)18/h4-5,15H,1-3H2,(H,17,18)
PDB
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207573
PNG
(US10501467, Example 18 | US9260440, 18 | US9617273...)
Show SMILES CC1Cc2[nH]c3cc(F)cc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C14H10FN3O/c1-6-2-9-13-11(3-6)17-18-14(19)8-4-7(15)5-10(16-9)12(8)13/h4-6H,2-3H2,1H3
PDB
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UniProtKB/SwissProt

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antibodypedia
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UniChem
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n/an/a 6n/an/an/an/a8.0n/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207570
PNG
(US10501467, Example 15 | US9260440, 15 | US9617273...)
Show SMILES CC1(C)Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C15H15N3O/c1-15(2)6-10-13-11(7-15)17-18-14(19)8-4-3-5-9(16-10)12(8)13/h3-5,16H,6-7H2,1-2H3,(H,18,19)
PDB
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UniProtKB/SwissProt

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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207560
PNG
(US9260440, 5 | US9617273, Example 5)
Show SMILES O=c1[nH]nc2CC(Cc3[nH]c4cccc1c4c23)c1ccccc1
Show InChI InChI=1S/C19H13N3O/c23-19-13-7-4-8-14-17(13)18-15(20-14)9-12(10-16(18)21-22-19)11-5-2-1-3-6-11/h1-8,12H,9-10H2
PDB
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UniProtKB/SwissProt

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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207563
PNG
(US10501467, Example 8 | US9260440, 8 | US9617273, ...)
Show SMILES Fc1cc2[nH]c3CCCCc4n[nH]c(=O)c(c1)c2c34
Show InChI InChI=1S/C14H12FN3O/c15-7-5-8-12-11(6-7)16-9-3-1-2-4-10(13(9)12)17-18-14(8)19/h5-6,16H,1-4H2,(H,18,19)
PDB
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UniProtKB/SwissProt

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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207595
PNG
(US10501467, Example 40 | US9260440, 40 | US9617273...)
Show SMILES CN(C)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cc(F)cc1c4c23
Show InChI InChI=1S/C19H23FN4O/c1-19(2)9-13-17-15(10-19)24(6-5-23(3)4)14-8-11(20)7-12(16(14)17)18(25)22-21-13/h7-8H,5-6,9-10H2,1-4H3,(H,22,25)
PDB
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207585
PNG
(US10501467, Example 34 | US9260440, 30 | US9617273...)
Show SMILES CC1(C)Cc2n(CCN3CCCC3)c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C21H26N4O/c1-21(2)12-15-19-17(13-21)25(11-10-24-8-3-4-9-24)16-7-5-6-14(18(16)19)20(26)23-22-15/h5-7H,3-4,8-13H2,1-2H3,(H,23,26)
PDB
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207557
PNG
(US9260440, 2 | US9617273, Example 2)
Show SMILES O=c1[nH]nc2CCCCc3[nH]c4cccc1c4c23
Show InChI InChI=1S/C14H13N3O/c18-14-8-4-3-7-9-12(8)13-10(15-9)5-1-2-6-11(13)16-17-14/h3-4,7,15H,1-2,5-6H2,(H,17,18)
PDB
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207576
PNG
(US10501467, Example 21 | US9260440, 21 | US9617273...)
Show SMILES Fc1cc2[nH]c3CN(Cc4n[nH]c(=O)c(c1)c2c34)C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H15FN4O3/c21-12-6-13-17-14(7-12)22-15-8-25(9-16(18(15)17)23-24-19(13)26)20(27)28-10-11-4-2-1-3-5-11/h1-7,22H,8-10H2,(H,24,26)
PDB
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BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207600
PNG
(US10501467, Example 45 | US9260440, 45 | US9617273...)
Show SMILES CC(C)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C15H16N4O/c1-8(2)19-6-11-14-12(7-19)17-18-15(20)9-4-3-5-10(16-11)13(9)14/h3-5,8,16H,6-7H2,1-2H3,(H,18,20)
PDB
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UniProtKB/SwissProt

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n/an/a 7.10n/an/an/an/a8.0n/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
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