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Compile Data Set for Download or QSAR

Found 1168 hits of ki data for polymerid = 232   
Target
(Institution)
LigandTarget
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 polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM213913
PNG
(BDBM214427 | US9283222, Table 3, Compound 20)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F
Show InChI InChI=1S/C22H25FN4O3/c1-14(28)26-8-10-27(11-9-26)22(30)18-12-15(6-7-19(18)23)13-20-16-4-2-3-5-17(16)21(29)25-24-20/h6-7,12H,2-5,8-11,13H2,1H3,(H,25,29)
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0.100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM213913
PNG
(BDBM214427 | US9283222, Table 3, Compound 20)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F
Show InChI InChI=1S/C22H25FN4O3/c1-14(28)26-8-10-27(11-9-26)22(30)18-12-15(6-7-19(18)23)13-20-16-4-2-3-5-17(16)21(29)25-24-20/h6-7,12H,2-5,8-11,13H2,1H3,(H,25,29)
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0.100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214629
PNG
(US9283222, 759)
Show SMILES CN1CCN(CC1=O)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F
Show InChI InChI=1S/C21H23FN4O3/c1-25-8-9-26(12-19(25)27)21(29)16-10-13(6-7-17(16)22)11-18-14-4-2-3-5-15(14)20(28)24-23-18/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,24,28)
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0.300n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50387945
PNG
(CHEMBL2058927 | US9283222, 511)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1cnccn1
Show InChI InChI=1S/C23H24FN7O2/c24-18-4-3-15(13-19-21-16(2-1-5-27-21)22(32)29-28-19)12-17(18)23(33)31-10-8-30(9-11-31)20-14-25-6-7-26-20/h3-4,6-7,12,14,27H,1-2,5,8-11,13H2,(H,29,32)
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0.400n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50387945
PNG
(CHEMBL2058927 | US9283222, 511)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1cnccn1
Show InChI InChI=1S/C23H24FN7O2/c24-18-4-3-15(13-19-21-16(2-1-5-27-21)22(32)29-28-19)12-17(18)23(33)31-10-8-30(9-11-31)20-14-25-6-7-26-20/h3-4,6-7,12,14,27H,1-2,5,8-11,13H2,(H,29,32)
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0.400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50387946
PNG
(CHEMBL2058928 | US9283222, 536)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C23H24FN7O2/c24-18-5-4-15(14-19-20-16(3-1-6-25-20)21(32)29-28-19)13-17(18)22(33)30-9-11-31(12-10-30)23-26-7-2-8-27-23/h2,4-5,7-8,13,25H,1,3,6,9-12,14H2,(H,29,32)
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0.400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214477
PNG
(US9283222, 581)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1N1C(=O)C[C@H](NC(=O)OCc2ccccc2)C1=O
Show InChI InChI=1S/C27H25FN4O5/c28-20-11-10-17(12-21-18-8-4-5-9-19(18)25(34)31-30-21)13-23(20)32-24(33)14-22(26(32)35)29-27(36)37-15-16-6-2-1-3-7-16/h1-3,6-7,10-11,13,22H,4-5,8-9,12,14-15H2,(H,29,36)(H,31,34)/t22-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214485
PNG
(US9283222, 591)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)COc1ccccc1
Show InChI InChI=1S/C27H28FN5O4/c28-22-9-8-18(16-23-25-20(7-4-10-29-25)26(35)31-30-23)15-21(22)27(36)33-13-11-32(12-14-33)24(34)17-37-19-5-2-1-3-6-19/h1-3,5-6,8-9,15,29H,4,7,10-14,16-17H2,(H,31,35)
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0.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50387946
PNG
(CHEMBL2058928 | US9283222, 536)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C23H24FN7O2/c24-18-5-4-15(14-19-20-16(3-1-6-25-20)21(32)29-28-19)13-17(18)22(33)30-9-11-31(12-10-30)23-26-7-2-8-27-23/h2,4-5,7-8,13,25H,1,3,6,9-12,14H2,(H,29,32)
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0.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214630
PNG
(US9283222, 761)
Show SMILES CCN(CCNC(=O)C1CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F
Show InChI InChI=1S/C24H29FN4O3/c1-2-29(12-11-26-22(30)16-8-9-16)24(32)19-13-15(7-10-20(19)25)14-21-17-5-3-4-6-18(17)23(31)28-27-21/h7,10,13,16H,2-6,8-9,11-12,14H2,1H3,(H,26,30)(H,28,31)
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0.600n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214533
PNG
(US9283222, 649)
Show SMILES Oc1ccc(cn1)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
Show InChI InChI=1S/C25H25FN6O4/c26-19-5-3-15(13-20-22-17(2-1-7-27-22)23(34)30-29-20)12-18(19)25(36)32-10-8-31(9-11-32)24(35)16-4-6-21(33)28-14-16/h3-6,12,14,27H,1-2,7-11,13H2,(H,28,33)(H,30,34)
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0.600n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214520
PNG
(US9283222, 633)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1/C28H28FN5O5/c29-20-8-7-17(15-21-25-18(4-3-9-30-25)26(35)32-31-21)14-19(20)27(36)33-10-12-34(13-11-33)28(37)24-16-38-22-5-1-2-6-23(22)39-24/h1-2,5-8,14,24,30H,3-4,9-13,15-16H2,(H,32,35)
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0.600n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214580
PNG
(US9283222, 704)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)c1cc[nH]n1
Show InChI InChI=1S/C23H24FN7O3/c24-17-4-3-14(13-19-20-15(2-1-6-25-20)21(32)29-28-19)12-16(17)22(33)30-8-10-31(11-9-30)23(34)18-5-7-26-27-18/h3-5,7,12,25H,1-2,6,8-11,13H2,(H,26,27)(H,29,32)
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0.600n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214624
PNG
(US9283222, 754)
Show SMILES Cc1nc2cc(ccc2[nH]1)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F
Show InChI InChI=1S/C29H29FN6O3/c1-17-31-24-9-7-19(16-26(24)32-17)28(38)35-10-12-36(13-11-35)29(39)22-14-18(6-8-23(22)30)15-25-20-4-2-3-5-21(20)27(37)34-33-25/h6-9,14,16H,2-5,10-13,15H2,1H3,(H,31,32)(H,34,37)
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0.600n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM213905
PNG
(BDBM214387 | US9283222, Table 3, Compound 12)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1NC(=O)CCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C26H27FN4O3/c27-21-14-13-17(15-22-19-9-4-5-10-20(19)26(34)31-30-22)16-23(21)29-25(33)12-6-11-24(32)28-18-7-2-1-3-8-18/h1-3,7-8,13-14,16H,4-6,9-12,15H2,(H,28,32)(H,29,33)(H,31,34)
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0.600n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214487
PNG
(US9283222, 594)
Show SMILES CCS(=O)(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
Show InChI InChI=1S/C21H26FN5O4S/c1-2-32(30,31)27-10-8-26(9-11-27)21(29)16-12-14(5-6-17(16)22)13-18-19-15(4-3-7-23-19)20(28)25-24-18/h5-6,12,23H,2-4,7-11,13H2,1H3,(H,25,28)
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0.700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214493
PNG
(US9283222, 600)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
Show InChI InChI=1S/C26H28FN5O5S/c1-37-18-5-7-19(8-6-18)38(35,36)32-13-11-31(12-14-32)26(34)21-15-17(4-9-22(21)27)16-23-24-20(3-2-10-28-24)25(33)30-29-23/h4-9,15,28H,2-3,10-14,16H2,1H3,(H,30,33)
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0.700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214517
PNG
(US9283222, 630)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1N1C(=O)CNC1=O
Show InChI InChI=1S/C18H17FN4O3/c19-13-6-5-10(8-15(13)23-16(24)9-20-18(23)26)7-14-11-3-1-2-4-12(11)17(25)22-21-14/h5-6,8H,1-4,7,9H2,(H,20,26)(H,22,25)
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0.700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214526
PNG
(US9283222, 640)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)C1CCCC1
Show InChI InChI=1S/C25H30FN5O3/c26-20-8-7-16(15-21-22-18(6-3-9-27-22)23(32)29-28-21)14-19(20)25(34)31-12-10-30(11-13-31)24(33)17-4-1-2-5-17/h7-8,14,17,27H,1-6,9-13,15H2,(H,29,32)
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0.700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214531
PNG
(US9283222, 646)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)c1ccc(Cl)nc1
Show InChI InChI=1S/C25H24ClFN6O3/c26-21-6-4-16(14-29-21)24(35)32-8-10-33(11-9-32)25(36)18-12-15(3-5-19(18)27)13-20-22-17(2-1-7-28-22)23(34)31-30-20/h3-6,12,14,28H,1-2,7-11,13H2,(H,31,34)
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0.700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214536
PNG
(US9283222, 655)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C27H26FN7O3/c28-20-5-3-16(13-23-24-18(2-1-7-29-24)25(36)33-32-23)12-19(20)27(38)35-10-8-34(9-11-35)26(37)17-4-6-21-22(14-17)31-15-30-21/h3-6,12,14-15,29H,1-2,7-11,13H2,(H,30,31)(H,33,36)
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0.700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM213911
PNG
(BDBM214404 | US9283222, Table 3, Compound 18)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C24H25FN6O2/c25-20-7-6-16(15-21-17-4-1-2-5-18(17)22(32)29-28-21)14-19(20)23(33)30-10-12-31(13-11-30)24-26-8-3-9-27-24/h3,6-9,14H,1-2,4-5,10-13,15H2,(H,29,32)
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0.700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM213905
PNG
(BDBM214387 | US9283222, Table 3, Compound 12)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1NC(=O)CCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C26H27FN4O3/c27-21-14-13-17(15-22-19-9-4-5-10-20(19)26(34)31-30-22)16-23(21)29-25(33)12-6-11-24(32)28-18-7-2-1-3-8-18/h1-3,7-8,13-14,16H,4-6,9-12,15H2,(H,28,32)(H,29,33)(H,31,34)
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0.700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214228
PNG
(US9283222, 291)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1N1C(=O)C2CC2C1=O
Show InChI InChI=1/C20H18FN3O3/c21-15-6-5-10(8-17(15)24-19(26)13-9-14(13)20(24)27)7-16-11-3-1-2-4-12(11)18(25)23-22-16/h5-6,8,13-14H,1-4,7,9H2,(H,23,25)
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0.700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM213899
PNG
(BDBM214226 | US9283222, Table 3, Compound 6)
Show SMILES COc1ccc(cc1)C(=O)CCC(=O)Nc1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F
Show InChI InChI=1S/C26H26FN3O4/c1-34-18-9-7-17(8-10-18)24(31)12-13-25(32)28-23-15-16(6-11-21(23)27)14-22-19-4-2-3-5-20(19)26(33)30-29-22/h6-11,15H,2-5,12-14H2,1H3,(H,28,32)(H,30,33)
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0.700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM213897
PNG
(BDBM213987 | US9283222, Table 3, Compound 4)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1NC(=O)C1CNC1
Show InChI InChI=1S/C19H21FN4O2/c20-15-6-5-11(8-17(15)22-18(25)12-9-21-10-12)7-16-13-3-1-2-4-14(13)19(26)24-23-16/h5-6,8,12,21H,1-4,7,9-10H2,(H,22,25)(H,24,26)
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0.700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50387941
PNG
(CHEMBL2058922 | US9283222, 556)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
Show InChI InChI=1S/C20H24FN5O4S/c1-31(29,30)26-9-7-25(8-10-26)20(28)15-11-13(4-5-16(15)21)12-17-18-14(3-2-6-22-18)19(27)24-23-17/h4-5,11,22H,2-3,6-10,12H2,1H3,(H,24,27)
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0.700n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM213899
PNG
(BDBM214226 | US9283222, Table 3, Compound 6)
Show SMILES COc1ccc(cc1)C(=O)CCC(=O)Nc1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F
Show InChI InChI=1S/C26H26FN3O4/c1-34-18-9-7-17(8-10-18)24(31)12-13-25(32)28-23-15-16(6-11-21(23)27)14-22-19-4-2-3-5-20(19)26(33)30-29-22/h6-11,15H,2-5,12-14H2,1H3,(H,28,32)(H,30,33)
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0.700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM213911
PNG
(BDBM214404 | US9283222, Table 3, Compound 18)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C24H25FN6O2/c25-20-7-6-16(15-21-17-4-1-2-5-18(17)22(32)29-28-21)14-19(20)23(33)30-10-12-31(13-11-30)24-26-8-3-9-27-24/h3,6-9,14H,1-2,4-5,10-13,15H2,(H,29,32)
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0.700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50387914
PNG
(CHEMBL2058682 | US9283222, 507)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1N1C(=O)CCCC1=O
Show InChI InChI=1S/C19H19FN4O3/c20-13-7-6-11(10-15(13)24-16(25)4-1-5-17(24)26)9-14-18-12(3-2-8-21-18)19(27)23-22-14/h6-7,10,21H,1-5,8-9H2,(H,23,27)
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0.700n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM213897
PNG
(BDBM213987 | US9283222, Table 3, Compound 4)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1NC(=O)C1CNC1
Show InChI InChI=1S/C19H21FN4O2/c20-15-6-5-11(8-17(15)22-18(25)12-9-21-10-12)7-16-13-3-1-2-4-14(13)19(26)24-23-16/h5-6,8,12,21H,1-4,7,9-10H2,(H,22,25)(H,24,26)
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0.700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50300018
PNG
(2-(4-(Oxazol-5-yl)phenyl)-1H-benzo[d]imidazole-4-c...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C17H12N4O2/c18-16(22)12-2-1-3-13-15(12)21-17(20-13)11-6-4-10(5-7-11)14-8-19-9-23-14/h1-9H,(H2,18,22)(H,20,21)
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0.760n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214537
PNG
(US9283222, 657)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C29H27FN6O3/c30-23-8-7-18(15-25-26-21(5-3-9-31-26)27(37)34-33-25)14-22(23)29(39)36-12-10-35(11-13-36)28(38)20-16-19-4-1-2-6-24(19)32-17-20/h1-2,4,6-8,14,16-17,31H,3,5,9-13,15H2,(H,34,37)
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0.800n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM213910
PNG
(BDBM214372 | US9283222, Table 3, Compound 17)
Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1cccc(Cc2n[nH]c(=O)c3CCCCc23)c1
Show InChI InChI=1S/C24H26N6O2/c31-22-20-8-2-1-7-19(20)21(27-28-22)16-17-5-3-6-18(15-17)23(32)29-11-13-30(14-12-29)24-25-9-4-10-26-24/h3-6,9-10,15H,1-2,7-8,11-14,16H2,(H,28,31)
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0.800n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214409
PNG
(US9283222, 496)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1C(=O)N1CCN(CC1)c1cnccn1
Show InChI InChI=1S/C24H25FN6O2/c25-20-6-5-16(14-21-17-3-1-2-4-18(17)23(32)29-28-21)13-19(20)24(33)31-11-9-30(10-12-31)22-15-26-7-8-27-22/h5-8,13,15H,1-4,9-12,14H2,(H,29,32)
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0.800n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50387914
PNG
(CHEMBL2058682 | US9283222, 507)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1N1C(=O)CCCC1=O
Show InChI InChI=1S/C19H19FN4O3/c20-13-7-6-11(10-15(13)24-16(25)4-1-5-17(24)26)9-14-18-12(3-2-8-21-18)19(27)23-22-14/h6-7,10,21H,1-5,8-9H2,(H,23,27)
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0.800n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50387941
PNG
(CHEMBL2058922 | US9283222, 556)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
Show InChI InChI=1S/C20H24FN5O4S/c1-31(29,30)26-9-7-25(8-10-26)20(28)15-11-13(4-5-16(15)21)12-17-18-14(3-2-6-22-18)19(27)24-23-17/h4-5,11,22H,2-3,6-10,12H2,1H3,(H,24,27)
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0.800n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214490
PNG
(US9283222, 597)
Show SMILES CCC(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
Show InChI InChI=1S/C22H26FN5O3/c1-2-19(29)27-8-10-28(11-9-27)22(31)16-12-14(5-6-17(16)23)13-18-20-15(4-3-7-24-20)21(30)26-25-18/h5-6,12,24H,2-4,7-11,13H2,1H3,(H,26,30)
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0.800n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214240
PNG
(US9283222, 303)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1N1C(=O)CCCC1=O
Show InChI InChI=1S/C20H20FN3O3/c21-15-9-8-12(11-17(15)24-18(25)6-3-7-19(24)26)10-16-13-4-1-2-5-14(13)20(27)23-22-16/h8-9,11H,1-7,10H2,(H,23,27)
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0.800n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214456
PNG
(US9283222, 555)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(C=O)C(C1)N1CCOCC1
Show InChI InChI=1/C24H29FN6O4/c25-19-4-3-16(13-20-22-17(2-1-5-26-22)23(33)28-27-20)12-18(19)24(34)30-6-7-31(15-32)21(14-30)29-8-10-35-11-9-29/h3-4,12,15,21,26H,1-2,5-11,13-14H2,(H,28,33)
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0.800n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM213910
PNG
(BDBM214372 | US9283222, Table 3, Compound 17)
Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1cccc(Cc2n[nH]c(=O)c3CCCCc23)c1
Show InChI InChI=1S/C24H26N6O2/c31-22-20-8-2-1-7-19(20)21(27-28-22)16-17-5-3-6-18(15-17)23(32)29-11-13-30(14-12-29)24-25-9-4-10-26-24/h3-6,9-10,15H,1-2,7-8,11-14,16H2,(H,28,31)
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0.800n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214589
PNG
(US9283222, 714)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1C(=O)NCCN1CCCC1=O
Show InChI InChI=1S/C22H25FN4O3/c23-18-8-7-14(13-19-15-4-1-2-5-16(15)22(30)26-25-19)12-17(18)21(29)24-9-11-27-10-3-6-20(27)28/h7-8,12H,1-6,9-11,13H2,(H,24,29)(H,26,30)
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0.800n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214454
PNG
(US9283222, 553)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C24H24FN5O4/c25-18-6-5-15(14-19-21-16(3-1-7-26-21)22(31)28-27-19)13-17(18)23(32)29-8-10-30(11-9-29)24(33)20-4-2-12-34-20/h2,4-6,12-13,26H,1,3,7-11,14H2,(H,28,31)
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0.800n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50387938
PNG
(CHEMBL2058919)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H21F4N5O3/c22-15-4-3-12(11-16-17-13(2-1-5-26-17)18(31)28-27-16)10-14(15)19(32)29-6-8-30(9-7-29)20(33)21(23,24)25/h3-4,10,26H,1-2,5-9,11H2,(H,28,31)
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0.900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50387935
PNG
(CHEMBL2058916 | US9283222, 607)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCNC(=O)C1
Show InChI InChI=1S/C19H20FN5O3/c20-14-4-3-11(8-13(14)19(28)25-7-6-21-16(26)10-25)9-15-17-12(2-1-5-22-17)18(27)24-23-15/h3-4,8,22H,1-2,5-7,9-10H2,(H,21,26)(H,24,27)
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0.900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50387939
PNG
(CHEMBL2058920 | US9283222, 551)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H26FN5O3/c27-21-9-8-17(16-22-23-19(7-4-10-28-23)24(33)30-29-22)15-20(21)26(35)32-13-11-31(12-14-32)25(34)18-5-2-1-3-6-18/h1-3,5-6,8-9,15,28H,4,7,10-14,16H2,(H,30,33)
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0.900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50387944
PNG
(CHEMBL2058926 | US9283222, 545)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C24H25FN6O2/c25-19-7-6-16(15-20-22-17(4-3-9-27-22)23(32)29-28-20)14-18(19)24(33)31-12-10-30(11-13-31)21-5-1-2-8-26-21/h1-2,5-8,14,27H,3-4,9-13,15H2,(H,29,32)
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0.900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50387948
PNG
(CHEMBL2058925 | US9283222, 695)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1cccnc1
Show InChI InChI=1S/C24H25FN6O2/c25-20-6-5-16(14-21-22-18(4-2-8-27-22)23(32)29-28-21)13-19(20)24(33)31-11-9-30(10-12-31)17-3-1-7-26-15-17/h1,3,5-7,13,15,27H,2,4,8-12,14H2,(H,29,32)
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0.900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214626
PNG
(US9283222, 756)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1C(=O)N1CCN(CC1)c1cccnc1
Show InChI InChI=1S/C25H26FN5O2/c26-22-8-7-17(15-23-19-5-1-2-6-20(19)24(32)29-28-23)14-21(22)25(33)31-12-10-30(11-13-31)18-4-3-9-27-16-18/h3-4,7-9,14,16H,1-2,5-6,10-13,15H2,(H,29,32)
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0.900n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214407
PNG
(US9283222, 494)
Show SMILES CN(C)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F
Show InChI InChI=1S/C23H28FN5O3/c1-27(2)23(32)29-11-9-28(10-12-29)22(31)18-13-15(7-8-19(18)24)14-20-16-5-3-4-6-17(16)21(30)26-25-20/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,26,30)
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0.900n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair
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