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Compile Data Set for Download or QSAR

Found 323 hits of ic50 data for polymerid = 7439   
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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207586
PNG
(US9260440, 31)
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

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UniProtKB/SwissProt

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DrugBank
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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM206061
PNG
(US9255106, S3)
Show SMILES CC1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
Show InChI InChI=1S/C23H18F4N6O2/c1-12-10-32(11-19-29-31-22(33(12)19)23(25,26)27)21(35)16-8-13(6-7-17(16)24)9-18-14-4-2-3-5-15(14)20(34)30-28-18/h2-8,12H,9-11H2,1H3,(H,30,34)
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UniChem
US Patent
n/an/a 0.220n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...


US Patent US9255106 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z5N
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207602
PNG
(US9260440, 47)
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

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UniProtKB/SwissProt

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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207588
PNG
(US9260440, 33)
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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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207576
PNG
(US9260440, 21)
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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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207623
PNG
(US9260440, 68)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cccc4[nH]c2c1c34
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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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM27566
PNG
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
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PDB
US Patent
n/an/a 0.450n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...


US Patent US9255106 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z5N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207624
PNG
(US9260440, 69)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
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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UniChem
US Patent
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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207575
PNG
(US9260440, 20)
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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US Patent
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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM224640
PNG
(US9328111, 13)
Show SMILES CC(C)(C)OC(=O)N1CCc2c(C1)[nH]c1cccc3c1c2n[nH]c3=O
Show InChI InChI=1S/C18H20N4O3/c1-18(2,3)25-17(24)22-8-7-10-13(9-22)19-12-6-4-5-11-14(12)15(10)20-21-16(11)23/h4-6,19H,7-9H2,1-3H3,(H,21,23)
PDB

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US Patent
n/an/a 0.5n/an/an/an/an/an/a



BeiGene Ltd.

US Patent


Assay Description
PARP2 and PARP3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with th...


US Patent US9328111 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BT3
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207570
PNG
(US9260440, 15)
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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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207569
PNG
(US9260440, 14 | US9260440, 19)
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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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207569
PNG
(US9260440, 14 | US9260440, 19)
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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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM224628
PNG
(US9328111, 1)
Show SMILES CC1(C)CCc2[nH]c3cccc4c3c(n[nH]c4=O)c2C1
Show InChI InChI=1S/C16H17N3O/c1-16(2)7-6-11-10(8-16)14-13-9(15(20)19-18-14)4-3-5-12(13)17-11/h3-5,17H,6-8H2,1-2H3,(H,19,20)
PDB

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



BeiGene Ltd.

US Patent


Assay Description
PARP2 and PARP3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with th...


US Patent US9328111 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BT3
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207571
PNG
(US9260440, 16)
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

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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM224630
PNG
(US9328111, 3)
Show SMILES O=c1[nH]nc2c3CCCCCCc3[nH]c3cccc1c23
Show InChI InChI=1S/C16H17N3O/c20-16-11-7-5-9-13-14(11)15(18-19-16)10-6-3-1-2-4-8-12(10)17-13/h5,7,9,17H,1-4,6,8H2,(H,19,20)
PDB

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n/an/a 0.730n/an/an/an/an/an/a



BeiGene Ltd.

US Patent


Assay Description
PARP2 and PARP3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with th...


US Patent US9328111 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BT3
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM224629
PNG
(US9328111, 2)
Show SMILES O=c1[nH]nc2c3CCCCc3[nH]c3cccc1c23
Show InChI InChI=1S/C14H13N3O/c18-14-9-5-3-7-11-12(9)13(16-17-14)8-4-1-2-6-10(8)15-11/h3,5,7,15H,1-2,4,6H2,(H,17,18)
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n/an/a 0.770n/an/an/an/an/an/a



BeiGene Ltd.

US Patent


Assay Description
PARP2 and PARP3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with th...


US Patent US9328111 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BT3
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207562
PNG
(US9260440, 7)
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)
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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207600
PNG
(US9260440, 45)
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)
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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM224631
PNG
(US9328111, 4)
Show SMILES O=c1[nH]nc2c3CCCCCc3[nH]c3cccc1c23
Show InChI InChI=1S/C15H15N3O/c19-15-10-6-4-8-12-13(10)14(17-18-15)9-5-2-1-3-7-11(9)16-12/h4,6,8,16H,1-3,5,7H2,(H,18,19)
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UniChem
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n/an/a 0.900n/an/an/an/an/an/a



BeiGene Ltd.

US Patent


Assay Description
PARP2 and PARP3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with th...


US Patent US9328111 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BT3
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207581
PNG
(US9260440, 26)
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)
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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50306253
PNG
(1-(2-(pyridin-3-yl)acetyl)-2,3,9,9a-tetrahydro-1H-...)
Show SMILES O=C(Cc1cccnc1)N1CCc2cccc3C(=O)NCC1c23
Show InChI InChI=1S/C18H17N3O2/c22-16(9-12-3-2-7-19-10-12)21-8-6-13-4-1-5-14-17(13)15(21)11-20-18(14)23/h1-5,7,10,15H,6,8-9,11H2,(H,20,23)
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n/an/a 1n/an/an/an/an/an/a



IRBM-Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of PARP2


Bioorg Med Chem Lett 20: 448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.002
BindingDB Entry DOI: 10.7270/Q2GT5N91
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50306256
PNG
(1-(3-(pyrazin-2-yl)propanoyl)-2,3,9,9a-tetrahydro-...)
Show SMILES O=C(CCc1cnccn1)N1CCc2cccc3C(=O)NCC1c23
Show InChI InChI=1S/C18H18N4O2/c23-16(5-4-13-10-19-7-8-20-13)22-9-6-12-2-1-3-14-17(12)15(22)11-21-18(14)24/h1-3,7-8,10,15H,4-6,9,11H2,(H,21,24)
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IRBM-Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of PARP2


Bioorg Med Chem Lett 20: 448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.002
BindingDB Entry DOI: 10.7270/Q2GT5N91
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207617
PNG
(US9260440, 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-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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207557
PNG
(US9260440, 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)
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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207561
PNG
(US9260440, 6)
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
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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM224641
PNG
(US9328111, 14)
Show SMILES O=c1[nH]nc2c3CCNCc3[nH]c3cccc1c23
Show InChI InChI=1S/C13H12N4O/c18-13-8-2-1-3-9-11(8)12(16-17-13)7-4-5-14-6-10(7)15-9/h1-3,14-15H,4-6H2,(H,17,18)
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BeiGene Ltd.

US Patent


Assay Description
PARP2 and PARP3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with th...


US Patent US9328111 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BT3
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207606
PNG
(US9260440, 51)
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)
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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM224645
PNG
(US9328111, 18)
Show SMILES O=c1[nH]nc2c3CCN(Cc4ccccc4)Cc3[nH]c3cccc1c23
Show InChI InChI=1S/C20H18N4O/c25-20-15-7-4-8-16-18(15)19(22-23-20)14-9-10-24(12-17(14)21-16)11-13-5-2-1-3-6-13/h1-8,21H,9-12H2,(H,23,25)
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BeiGene Ltd.

US Patent


Assay Description
PARP2 and PARP3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with th...


US Patent US9328111 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BT3
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207560
PNG
(US9260440, 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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207558
PNG
(US9260440, 3)
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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207556
PNG
(US9260440, 1)
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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50316226
PNG
((S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...)
Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1
Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1
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IRBM/Merck Research Labs Rome

Curated by ChEMBL


Assay Description
Inhibition of human PARP2 by trichloroacetic acid precipitation assay


J Med Chem 52: 7170-85 (2009)


Article DOI: 10.1021/jm901188v
BindingDB Entry DOI: 10.7270/Q2DN457M
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin)


J Med Chem 56: 1341-5 (2013)


Article DOI: 10.1021/jm301607v
BindingDB Entry DOI: 10.7270/Q21N82DQ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM27721
PNG
(3-(4-cyanophenyl)quinoxaline-5-carboxamide | CHEMB...)
Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H10N4O/c17-8-10-4-6-11(7-5-10)14-9-19-13-3-1-2-12(16(18)21)15(13)20-14/h1-7,9H,(H2,18,21)
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n/an/a 8n/an/an/an/an/an/a



Johns Hopkins University Brain Science Institute

Curated by ChEMBL


Assay Description
Inhibition of PARP2


J Med Chem 53: 4561-84 (2010)


Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50296561
PNG
(CHEMBL560790 | N-(2-(6-oxo-6,7,8,9-tetrahydro-3H-p...)
Show SMILES O=C(NCCc1c[nH]c2ccc3C(=O)NCCc3c12)N1CCCNCC1
Show InChI InChI=1S/C19H25N5O2/c25-18-15-2-3-16-17(14(15)5-8-21-18)13(12-23-16)4-7-22-19(26)24-10-1-6-20-9-11-24/h2-3,12,20,23H,1,4-11H2,(H,21,25)(H,22,26)
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IRBM--Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of human PARP2 expressed in baculovirus system


Bioorg Med Chem Lett 19: 4042-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.031
BindingDB Entry DOI: 10.7270/Q2WH2Q09
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM224628
PNG
(US9328111, 1)
Show SMILES CC1(C)CCc2[nH]c3cccc4c3c(n[nH]c4=O)c2C1
Show InChI InChI=1S/C16H17N3O/c1-16(2)7-6-11-10(8-16)14-13-9(15(20)19-18-14)4-3-5-12(13)17-11/h3-5,17H,6-8H2,1-2H3,(H,19,20)
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BeiGene Ltd.

US Patent


Assay Description
PARP2 and PARP3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with th...


US Patent US9328111 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BT3
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM224641
PNG
(US9328111, 14)
Show SMILES O=c1[nH]nc2c3CCNCc3[nH]c3cccc1c23
Show InChI InChI=1S/C13H12N4O/c18-13-8-2-1-3-9-11(8)12(16-17-13)7-4-5-14-6-10(7)15-9/h1-3,14-15H,4-6H2,(H,17,18)
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BeiGene Ltd.

US Patent


Assay Description
PARP2 and PARP3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with th...


US Patent US9328111 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BT3
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM207596
PNG
(US9260440, 41)
Show SMILES CC1(C)Cc2n(CC3CO3)c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C18H19N3O2/c1-18(2)6-12-16-14(7-18)21(8-10-9-23-10)13-5-3-4-11(15(13)16)17(22)20-19-12/h3-5,10H,6-9H2,1-2H3,(H,20,22)
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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM224630
PNG
(US9328111, 3)
Show SMILES O=c1[nH]nc2c3CCCCCCc3[nH]c3cccc1c23
Show InChI InChI=1S/C16H17N3O/c20-16-11-7-5-9-13-14(11)15(18-19-16)10-6-3-1-2-4-8-12(10)17-13/h5,7,9,17H,1-4,6,8H2,(H,19,20)
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BeiGene Ltd.

US Patent


Assay Description
PARP2 and PARP3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with th...


US Patent US9328111 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BT3
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM224631
PNG
(US9328111, 4)
Show SMILES O=c1[nH]nc2c3CCCCCc3[nH]c3cccc1c23
Show InChI InChI=1S/C15H15N3O/c19-15-10-6-4-8-12-13(10)14(17-18-15)9-5-2-1-3-7-11(9)16-12/h4,6,8,16H,1-3,5,7H2,(H,18,19)
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BeiGene Ltd.

US Patent


Assay Description
PARP2 and PARP3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with th...


US Patent US9328111 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BT3
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50296560
PNG
(CHEMBL558845 | N-(2-(6-oxo-6,7,8,9-tetrahydro-3H-p...)
Show SMILES O=C(NCCc1c[nH]c2ccc3C(=O)NCCc3c12)N1CCNCC1
Show InChI InChI=1S/C18H23N5O2/c24-17-14-1-2-15-16(13(14)4-6-20-17)12(11-22-15)3-5-21-18(25)23-9-7-19-8-10-23/h1-2,11,19,22H,3-10H2,(H,20,24)(H,21,25)
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n/an/a 32n/an/an/an/an/an/a



IRBM--Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of human PARP2 expressed in baculovirus system


Bioorg Med Chem Lett 19: 4042-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.031
BindingDB Entry DOI: 10.7270/Q2WH2Q09
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a 46n/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin)


J Med Chem 56: 4497-508 (2013)


Article DOI: 10.1021/jm400211f
BindingDB Entry DOI: 10.7270/Q23R0V82
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM259583
PNG
(US9505749, 94)
Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)c1n[nH]c2ccccc12
Show InChI InChI=1S/C22H22N6O2S/c29-19(9-14-31-22-23-17-7-3-2-6-16(17)21(30)24-22)27-10-12-28(13-11-27)20-15-5-1-4-8-18(15)25-26-20/h1-8H,9-14H2,(H,25,26)(H,23,24,30)
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n/an/a 89.5n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
PARP1 biochemical assay was purchased as a kit from Trevigen (cat.#4676-096-K) and used per manufacturers recommendations.PARP2 biochemical assay was...


US Patent US9505749 (2016)


BindingDB Entry DOI: 10.7270/Q2FN154F
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM259571
PNG
(US9505749, 82)
Show SMILES Clc1ccc2n(C3CCN(CC3)C(=O)CCSc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H22ClN5O3S/c24-14-5-6-19-18(13-14)26-23(32)29(19)15-7-10-28(11-8-15)20(30)9-12-33-22-25-17-4-2-1-3-16(17)21(31)27-22/h1-6,13,15H,7-12H2,(H,26,32)(H,25,27,31)
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n/an/a 99.4n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
PARP1 biochemical assay was purchased as a kit from Trevigen (cat.#4676-096-K) and used per manufacturers recommendations.PARP2 biochemical assay was...


US Patent US9505749 (2016)


BindingDB Entry DOI: 10.7270/Q2FN154F
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM259516
PNG
(US9505749, 27)
Show SMILES Clc1ccc2n(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H24ClN5O3/c25-15-8-9-20-19(14-15)27-24(33)30(20)16-10-12-29(13-11-16)22(31)7-3-6-21-26-18-5-2-1-4-17(18)23(32)28-21/h1-2,4-5,8-9,14,16H,3,6-7,10-13H2,(H,27,33)(H,26,28,32)
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n/an/a 99.7n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
PARP1 biochemical assay was purchased as a kit from Trevigen (cat.#4676-096-K) and used per manufacturers recommendations.PARP2 biochemical assay was...


US Patent US9505749 (2016)


BindingDB Entry DOI: 10.7270/Q2FN154F
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM259500
PNG
(US9505749, 11)
Show SMILES Cc1ccc2n(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1
Show InChI InChI=1S/C25H27N5O3/c1-16-9-10-21-20(15-16)27-25(33)30(21)17-11-13-29(14-12-17)23(31)8-4-7-22-26-19-6-3-2-5-18(19)24(32)28-22/h2-3,5-6,9-10,15,17H,4,7-8,11-14H2,1H3,(H,27,33)(H,26,28,32)
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n/an/a 103n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
PARP1 biochemical assay was purchased as a kit from Trevigen (cat.#4676-096-K) and used per manufacturers recommendations.PARP2 biochemical assay was...


US Patent US9505749 (2016)


BindingDB Entry DOI: 10.7270/Q2FN154F
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a 106n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research Incorporated

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin) after 60 mins by LC-MS analysis


J Med Chem 56: 7049-59 (2013)


Article DOI: 10.1021/jm400826j
BindingDB Entry DOI: 10.7270/Q2KS6SZ5
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a 106n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis


J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a 114n/an/an/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Inhibition of PARP2


J Med Chem 55: 1360-7 (2012)


Article DOI: 10.1021/jm201510p
BindingDB Entry DOI: 10.7270/Q2WS8V8K
More data for this
Ligand-Target Pair
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