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PubMed code 26546219

Compile data set for download or QSAR
Found 47 hits of Enzyme Inhibition Constant Data   
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 1


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



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP1 expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by streptavidin-...

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499821
PNG
(CHEMBL3740104)
Show SMILES O=C(N1CCN(CC1)c1ncccc1C#N)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C26H22N6O2/c27-17-20-7-4-10-28-24(20)31-11-13-32(14-12-31)26(34)19-6-3-5-18(15-19)16-23-21-8-1-2-9-22(21)25(33)30-29-23/h1-10,15H,11-14,16H2,(H,30,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP1 expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by streptavidin-...

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM50499821
PNG
(CHEMBL3740104)
Show SMILES O=C(N1CCN(CC1)c1ncccc1C#N)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C26H22N6O2/c27-17-20-7-4-10-28-24(20)31-11-13-32(14-12-31)26(34)19-6-3-5-18(15-19)16-23-21-8-1-2-9-22(21)25(33)30-29-23/h1-10,15H,11-14,16H2,(H,30,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PARP2 (2 to 583 residues) expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by strep...

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(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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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PARP2 (2 to 583 residues) expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by strep...

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50499821
PNG
(CHEMBL3740104)
Show SMILES O=C(N1CCN(CC1)c1ncccc1C#N)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C26H22N6O2/c27-17-20-7-4-10-28-24(20)31-11-13-32(14-12-31)26(34)19-6-3-5-18(15-19)16-23-21-8-1-2-9-22(21)25(33)30-29-23/h1-10,15H,11-14,16H2,(H,30,33)
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 (1001 to 1327 residues) expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by s...

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM50499822
PNG
(CHEMBL3740897)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1)C(F)(F)c1n[nH]c(=O)c3ccccc13)nnc2C(C)(F)F |r|
Show InChI InChI=1S/C24H20F4N6O2/c1-13-11-34-18(29-32-22(34)23(2,25)26)12-33(13)21(36)14-6-5-7-15(10-14)24(27,28)19-16-8-3-4-9-17(16)20(35)31-30-19/h3-10,13H,11-12H2,1-2H3,(H,31,35)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PARP2 (2 to 583 residues) expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by strep...

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499822
PNG
(CHEMBL3740897)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1)C(F)(F)c1n[nH]c(=O)c3ccccc13)nnc2C(C)(F)F |r|
Show InChI InChI=1S/C24H20F4N6O2/c1-13-11-34-18(29-32-22(34)23(2,25)26)12-33(13)21(36)14-6-5-7-15(10-14)24(27,28)19-16-8-3-4-9-17(16)20(35)31-30-19/h3-10,13H,11-12H2,1-2H3,(H,31,35)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP1 expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by streptavidin-...

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3


(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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n/an/a 46n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP3 (unknown origin) using activated DNA as substrate after 1 hr by streptavidin-horseradish peroxidase-based luminescence assay

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3


(Homo sapiens (Human))		BDBM50499821
PNG
(CHEMBL3740104)
Show SMILES O=C(N1CCN(CC1)c1ncccc1C#N)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C26H22N6O2/c27-17-20-7-4-10-28-24(20)31-11-13-32(14-12-31)26(34)19-6-3-5-18(15-19)16-23-21-8-1-2-9-22(21)25(33)30-29-23/h1-10,15H,11-14,16H2,(H,30,33)
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n/an/a 46n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP3 (unknown origin) using activated DNA as substrate after 1 hr by streptavidin-horseradish peroxidase-based luminescence assay

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP6


(Homo sapiens (Human))		BDBM50499822
PNG
(CHEMBL3740897)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1)C(F)(F)c1n[nH]c(=O)c3ccccc13)nnc2C(C)(F)F |r|
Show InChI InChI=1S/C24H20F4N6O2/c1-13-11-34-18(29-32-22(34)23(2,25)26)12-33(13)21(36)14-6-5-7-15(10-14)24(27,28)19-16-8-3-4-9-17(16)20(35)31-30-19/h3-10,13H,11-12H2,1-2H3,(H,31,35)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP6 expressed in a Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by streptavidi...

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM50499821
PNG
(CHEMBL3740104)
Show SMILES O=C(N1CCN(CC1)c1ncccc1C#N)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C26H22N6O2/c27-17-20-7-4-10-28-24(20)31-11-13-32(14-12-31)26(34)19-6-3-5-18(15-19)16-23-21-8-1-2-9-22(21)25(33)30-29-23/h1-10,15H,11-14,16H2,(H,30,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TNKS2 (667 to 1166 residues) expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by st...

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2


(Homo sapiens (Human))		BDBM50499821
PNG
(CHEMBL3740104)
Show SMILES O=C(N1CCN(CC1)c1ncccc1C#N)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C26H22N6O2/c27-17-20-7-4-10-28-24(20)31-11-13-32(14-12-31)26(34)19-6-3-5-18(15-19)16-23-21-8-1-2-9-22(21)25(33)30-29-23/h1-10,15H,11-14,16H2,(H,30,33)
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n/an/a 222n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of TNSK1/2-activated Wnt pathway in human DLD-1 TOPFlash/EF1a Renilla reporter cells after 24 hrs by Steady-Glo Luciferase assay

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP6


(Homo sapiens (Human))		BDBM50499821
PNG
(CHEMBL3740104)
Show SMILES O=C(N1CCN(CC1)c1ncccc1C#N)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C26H22N6O2/c27-17-20-7-4-10-28-24(20)31-11-13-32(14-12-31)26(34)19-6-3-5-18(15-19)16-23-21-8-1-2-9-22(21)25(33)30-29-23/h1-10,15H,11-14,16H2,(H,30,33)
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n/an/a 640n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP6 expressed in a Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by streptavidi...

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(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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n/an/a 1.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TNKS2 (667 to 1166 residues) expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by st...

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP6


(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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n/an/a 1.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length human PARP6 expressed in a Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by streptavidi...

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(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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n/an/a 1.90E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 (1001 to 1327 residues) expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by s...

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP3


(Homo sapiens (Human))		BDBM50499822
PNG
(CHEMBL3740897)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1)C(F)(F)c1n[nH]c(=O)c3ccccc13)nnc2C(C)(F)F |r|
Show InChI InChI=1S/C24H20F4N6O2/c1-13-11-34-18(29-32-22(34)23(2,25)26)12-33(13)21(36)14-6-5-7-15(10-14)24(27,28)19-16-8-3-4-9-17(16)20(35)31-30-19/h3-10,13H,11-12H2,1-2H3,(H,31,35)/t13-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP3 (unknown origin) using activated DNA as substrate after 1 hr by streptavidin-horseradish peroxidase-based luminescence assay

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2


(Homo sapiens (Human))		BDBM50499822
PNG
(CHEMBL3740897)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1)C(F)(F)c1n[nH]c(=O)c3ccccc13)nnc2C(C)(F)F |r|
Show InChI InChI=1S/C24H20F4N6O2/c1-13-11-34-18(29-32-22(34)23(2,25)26)12-33(13)21(36)14-6-5-7-15(10-14)24(27,28)19-16-8-3-4-9-17(16)20(35)31-30-19/h3-10,13H,11-12H2,1-2H3,(H,31,35)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of TNSK1/2-activated Wnt pathway in human DLD-1 TOPFlash/EF1a Renilla reporter cells after 24 hrs by Steady-Glo Luciferase assay

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM50499822
PNG
(CHEMBL3740897)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1)C(F)(F)c1n[nH]c(=O)c3ccccc13)nnc2C(C)(F)F |r|
Show InChI InChI=1S/C24H20F4N6O2/c1-13-11-34-18(29-32-22(34)23(2,25)26)12-33(13)21(36)14-6-5-7-15(10-14)24(27,28)19-16-8-3-4-9-17(16)20(35)31-30-19/h3-10,13H,11-12H2,1-2H3,(H,31,35)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TNKS2 (667 to 1166 residues) expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by st...

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2


(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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n/an/a>3.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of TNSK1/2-activated Wnt pathway in human DLD-1 TOPFlash/EF1a Renilla reporter cells after 24 hrs by Steady-Glo Luciferase assay

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50499822
PNG
(CHEMBL3740897)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1)C(F)(F)c1n[nH]c(=O)c3ccccc13)nnc2C(C)(F)F |r|
Show InChI InChI=1S/C24H20F4N6O2/c1-13-11-34-18(29-32-22(34)23(2,25)26)12-33(13)21(36)14-6-5-7-15(10-14)24(27,28)19-16-8-3-4-9-17(16)20(35)31-30-19/h3-10,13H,11-12H2,1-2H3,(H,31,35)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 (1001 to 1327 residues) expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by s...

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499829
PNG
(CHEMBL3741945)
Show SMILES NC(c1cccc(c1)C(=O)N1CCN(CC1)c1ncccc1C#N)c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C26H23N7O2/c27-16-19-7-4-10-29-24(19)32-11-13-33(14-12-32)26(35)18-6-3-5-17(15-18)22(28)23-20-8-1-2-9-21(20)25(34)31-30-23/h1-10,15,22H,11-14,28H2,(H,31,34)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM209856
PNG
(US9273052, 15 | US9566277, 15)
Show SMILES FC(F)(F)c1nnc2CN(CCn12)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C22H17F3N6O2/c23-22(24,25)21-29-27-18-12-30(8-9-31(18)21)20(33)14-5-3-4-13(10-14)11-17-15-6-1-2-7-16(15)19(32)28-26-17/h1-7,10H,8-9,11-12H2,(H,28,32)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499821
PNG
(CHEMBL3740104)
Show SMILES O=C(N1CCN(CC1)c1ncccc1C#N)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C26H22N6O2/c27-17-20-7-4-10-28-24(20)31-11-13-32(14-12-31)26(34)19-6-3-5-18(15-19)16-23-21-8-1-2-9-22(21)25(33)30-29-23/h1-10,15H,11-14,16H2,(H,30,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in multi-drug resistant human MCF7 cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based imag...

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499835
PNG
(CHEMBL3739469)
Show SMILES C[C@@H]1Cn2c(CN1C(=O)c1cccc(Cc3n[nH]c(=O)c4ccccc34)c1)nnc2C(F)(F)F |r|
Show InChI InChI=1S/C23H19F3N6O2/c1-13-11-32-19(28-30-22(32)23(24,25)26)12-31(13)21(34)15-6-4-5-14(9-15)10-18-16-7-2-3-8-17(16)20(33)29-27-18/h2-9,13H,10-12H2,1H3,(H,29,33)/t13-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499838
PNG
(CHEMBL3740189)
Show SMILES O=C(N1CCN(CC1)c1ncccc1C#N)c1cccc(Nc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C25H21N7O2/c26-16-18-6-4-10-27-23(18)31-11-13-32(14-12-31)25(34)17-5-3-7-19(15-17)28-22-20-8-1-2-9-21(20)24(33)30-29-22/h1-10,15H,11-14H2,(H,28,29)(H,30,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499822
PNG
(CHEMBL3740897)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1)C(F)(F)c1n[nH]c(=O)c3ccccc13)nnc2C(C)(F)F |r|
Show InChI InChI=1S/C24H20F4N6O2/c1-13-11-34-18(29-32-22(34)23(2,25)26)12-33(13)21(36)14-6-5-7-15(10-14)24(27,28)19-16-8-3-4-9-17(16)20(35)31-30-19/h3-10,13H,11-12H2,1-2H3,(H,31,35)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499825
PNG
(CHEMBL3741716)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1)C(F)(F)c1n[nH]c(=O)c3ccccc13)nnc2C(C)(C)C |r|
Show InChI InChI=1S/C26H26F2N6O2/c1-15-13-34-20(29-32-24(34)25(2,3)4)14-33(15)23(36)16-8-7-9-17(12-16)26(27,28)21-18-10-5-6-11-19(18)22(35)31-30-21/h5-12,15H,13-14H2,1-4H3,(H,31,35)/t15-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499822
PNG
(CHEMBL3740897)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1)C(F)(F)c1n[nH]c(=O)c3ccccc13)nnc2C(C)(F)F |r|
Show InChI InChI=1S/C24H20F4N6O2/c1-13-11-34-18(29-32-22(34)23(2,25)26)12-33(13)21(36)14-6-5-7-15(10-14)24(27,28)19-16-8-3-4-9-17(16)20(35)31-30-19/h3-10,13H,11-12H2,1-2H3,(H,31,35)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human MDA-MB-157 cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499822
PNG
(CHEMBL3740897)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1)C(F)(F)c1n[nH]c(=O)c3ccccc13)nnc2C(C)(F)F |r|
Show InChI InChI=1S/C24H20F4N6O2/c1-13-11-34-18(29-32-22(34)23(2,25)26)12-33(13)21(36)14-6-5-7-15(10-14)24(27,28)19-16-8-3-4-9-17(16)20(35)31-30-19/h3-10,13H,11-12H2,1-2H3,(H,31,35)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HCC1806 cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499822
PNG
(CHEMBL3740897)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1)C(F)(F)c1n[nH]c(=O)c3ccccc13)nnc2C(C)(F)F |r|
Show InChI InChI=1S/C24H20F4N6O2/c1-13-11-34-18(29-32-22(34)23(2,25)26)12-33(13)21(36)14-6-5-7-15(10-14)24(27,28)19-16-8-3-4-9-17(16)20(35)31-30-19/h3-10,13H,11-12H2,1-2H3,(H,31,35)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human MCF7 cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499826
PNG
(CHEMBL3740722)
Show SMILES O=C(N1CCN(CC1)c1ncccc1C#N)c1cccc(Sc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C25H20N6O2S/c26-16-18-6-4-10-27-22(18)30-11-13-31(14-12-30)25(33)17-5-3-7-19(15-17)34-24-21-9-2-1-8-20(21)23(32)28-29-24/h1-10,15H,11-14H2,(H,28,32)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499827
PNG
(CHEMBL3742184)
Show SMILES FC(F)(c1cccc(c1)C(=O)N1CCN(CC1)c1ncccc1C#N)c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C26H20F2N6O2/c27-26(28,22-20-8-1-2-9-21(20)24(35)32-31-22)19-7-3-5-17(15-19)25(36)34-13-11-33(12-14-34)23-18(16-29)6-4-10-30-23/h1-10,15H,11-14H2,(H,32,35)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499836
PNG
(CHEMBL3739814)
Show SMILES C[C@@H]1N(CCn2c1nnc2C(F)(F)F)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 |r|
Show InChI InChI=1S/C23H19F3N6O2/c1-13-19-28-30-22(23(24,25)26)32(19)10-9-31(13)21(34)15-6-4-5-14(11-15)12-18-16-7-2-3-8-17(16)20(33)29-27-18/h2-8,11,13H,9-10,12H2,1H3,(H,29,33)/t13-/m0/s1
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n/an/an/an/a 5.04E+3n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499831
PNG
(CHEMBL3742396)
Show SMILES CC(c1cccc(c1)C(=O)N1CCN(CC1)c1ncccc1C#N)c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C27H24N6O2/c1-18(24-22-9-2-3-10-23(22)26(34)31-30-24)19-6-4-7-20(16-19)27(35)33-14-12-32(13-15-33)25-21(17-28)8-5-11-29-25/h2-11,16,18H,12-15H2,1H3,(H,31,34)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499830
PNG
(CHEMBL3740177)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1)C(F)(F)c1n[nH]c(=O)c3ccccc13)nnc2C1CCC1 |r|
Show InChI InChI=1S/C26H24F2N6O2/c1-15-13-34-21(29-31-23(34)16-6-4-7-16)14-33(15)25(36)17-8-5-9-18(12-17)26(27,28)22-19-10-2-3-11-20(19)24(35)32-30-22/h2-3,5,8-12,15-16H,4,6-7,13-14H2,1H3,(H,32,35)/t15-/m0/s1
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n/an/an/an/a 49n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499840
PNG
(CHEMBL3740114)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1)C(F)(F)c1n[nH]c(=O)c3ccccc13)nnc2C(C)(C)F |r|
Show InChI InChI=1S/C25H23F3N6O2/c1-14-12-34-19(29-32-23(34)24(2,3)26)13-33(14)22(36)15-7-6-8-16(11-15)25(27,28)20-17-9-4-5-10-18(17)21(35)31-30-20/h4-11,14H,12-13H2,1-3H3,(H,31,35)/t14-/m0/s1
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n/an/an/an/a 43n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499828
PNG
(CHEMBL3740068)
Show SMILES FC(c1cccc(c1)C(=O)N1CCN(CC1)c1ncccc1C#N)c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C26H21FN6O2/c27-22(23-20-8-1-2-9-21(20)25(34)31-30-23)17-5-3-6-18(15-17)26(35)33-13-11-32(12-14-33)24-19(16-28)7-4-10-29-24/h1-10,15,22H,11-14H2,(H,31,34)
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n/an/an/an/a 140n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499839
PNG
(CHEMBL3742216)
Show SMILES FC(F)(F)c1ncc2CN(CCn12)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C23H18F3N5O2/c24-23(25,26)22-27-12-16-13-30(8-9-31(16)22)21(33)15-5-3-4-14(10-15)11-19-17-6-1-2-7-18(17)20(32)29-28-19/h1-7,10,12H,8-9,11,13H2,(H,29,32)
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n/an/an/an/a>1.10E+4n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499834
PNG
(CHEMBL3741280)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cc3n[nH]c(=O)c4ccccc34)c1)nnc2C(F)(F)F |r|
Show InChI InChI=1S/C23H19F3N6O2/c1-13-11-32-19(28-30-22(32)23(24,25)26)12-31(13)21(34)15-6-4-5-14(9-15)10-18-16-7-2-3-8-17(16)20(33)29-27-18/h2-9,13H,10-12H2,1H3,(H,29,33)/t13-/m0/s1
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n/an/an/an/a<15n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499837
PNG
(CHEMBL3740510)
Show SMILES CC(C)c1nnc2CN([C@@H](C)Cn12)C(=O)c1cccc(c1)C(F)(F)c1n[nH]c(=O)c2ccccc12 |r|
Show InChI InChI=1S/C25H24F2N6O2/c1-14(2)22-30-28-20-13-32(15(3)12-33(20)22)24(35)16-7-6-8-17(11-16)25(26,27)21-18-9-4-5-10-19(18)23(34)31-29-21/h4-11,14-15H,12-13H2,1-3H3,(H,31,34)/t15-/m0/s1
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n/an/an/an/a 102n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499833
PNG
(CHEMBL3740784)
Show SMILES O=C(N1CCN(CC1)c1ncccc1C#N)c1cccc(Oc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C25H20N6O3/c26-16-18-6-4-10-27-22(18)30-11-13-31(14-12-30)25(33)17-5-3-7-19(15-17)34-24-21-9-2-1-8-20(21)23(32)28-29-24/h1-10,15H,11-14H2,(H,28,32)
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n/an/an/an/a 9.18E+3n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499832
PNG
(CHEMBL3740950)
Show SMILES C[C@H]1N(CCn2c1nnc2C(F)(F)F)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 |r|
Show InChI InChI=1S/C23H19F3N6O2/c1-13-19-28-30-22(23(24,25)26)32(19)10-9-31(13)21(34)15-6-4-5-14(11-15)12-18-16-7-2-3-8-17(16)20(33)29-27-18/h2-8,11,13H,9-10,12H2,1H3,(H,29,33)/t13-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499824
PNG
(CHEMBL3740017)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1)C(F)(F)c1n[nH]c(=O)c3ccccc13)nnc2C(F)(F)F |r|
Show InChI InChI=1S/C23H17F5N6O2/c1-12-10-34-17(29-32-21(34)23(26,27)28)11-33(12)20(36)13-5-4-6-14(9-13)22(24,25)18-15-7-2-3-8-16(15)19(35)31-30-18/h2-9,12H,10-11H2,1H3,(H,31,35)/t12-/m0/s1
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n/an/an/an/a 216n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499823
PNG
(CHEMBL3742411)
Show SMILES OC(c1cccc(c1)C(=O)N1CCN(CC1)c1ncccc1C#N)c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C26H22N6O3/c27-16-19-7-4-10-28-24(19)31-11-13-32(14-12-31)26(35)18-6-3-5-17(15-18)23(33)22-20-8-1-2-9-21(20)25(34)30-29-22/h1-10,15,23,33H,11-14H2,(H,30,34)
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n/an/an/an/a 115n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499821
PNG
(CHEMBL3740104)
Show SMILES O=C(N1CCN(CC1)c1ncccc1C#N)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C26H22N6O2/c27-17-20-7-4-10-28-24(20)31-11-13-32(14-12-31)26(34)19-6-3-5-18(15-19)16-23-21-8-1-2-9-22(21)25(33)30-29-23/h1-10,15H,11-14,16H2,(H,30,33)
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n/an/an/an/a<18n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50499821
PNG
(CHEMBL3740104)
Show SMILES O=C(N1CCN(CC1)c1ncccc1C#N)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C26H22N6O2/c27-17-20-7-4-10-28-24(20)31-11-13-32(14-12-31)26(34)19-6-3-5-18(15-19)16-23-21-8-1-2-9-22(21)25(33)30-29-23/h1-10,15H,11-14,16H2,(H,30,33)
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n/an/an/an/a 3n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PARP in human MDA-MB-468 cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis

Bioorg Med Chem Lett 25: 5743-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.079
BindingDB Entry DOI: 10.7270/Q2WH2T0J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%