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PubMed code 26061013

Compile data set for download or QSAR
Found 55 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))		BDBM50089862
PNG
(CHEMBL3577700)
Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r|
Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50089862
PNG
(CHEMBL3577700)
Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r|
Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50089863
PNG
(CHEMBL3577701)
Show SMILES COc1ccc2C(=O)CC(CC(=O)NCCNC(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1
Show InChI InChI=1S/C25H26N4O6/c1-35-16-6-7-17-19(14-16)15(12-21(17)30)13-23(32)26-9-10-27-24(33)18-4-2-3-5-20(18)29-11-8-22(31)28-25(29)34/h2-7,14-15H,8-13H2,1H3,(H,26,32)(H,27,33)(H,28,31,34)
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n/an/a 41n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50089863
PNG
(CHEMBL3577701)
Show SMILES COc1ccc2C(=O)CC(CC(=O)NCCNC(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1
Show InChI InChI=1S/C25H26N4O6/c1-35-16-6-7-17-19(14-16)15(12-21(17)30)13-23(32)26-9-10-27-24(33)18-4-2-3-5-20(18)29-11-8-22(31)28-25(29)34/h2-7,14-15H,8-13H2,1H3,(H,26,32)(H,27,33)(H,28,31,34)
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n/an/a 41n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50089867
PNG
(CHEMBL3577626)
Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)c(Cl)c1
Show InChI InChI=1S/C19H17Cl2N3O3/c20-13-6-5-12(15(21)11-13)7-9-22-18(26)14-3-1-2-4-16(14)24-10-8-17(25)23-19(24)27/h1-6,11H,7-10H2,(H,22,26)(H,23,25,27)
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n/an/a 110n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50089867
PNG
(CHEMBL3577626)
Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)c(Cl)c1
Show InChI InChI=1S/C19H17Cl2N3O3/c20-13-6-5-12(15(21)11-13)7-9-22-18(26)14-3-1-2-4-16(14)24-10-8-17(25)23-19(24)27/h1-6,11H,7-10H2,(H,22,26)(H,23,25,27)
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n/an/a 110n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50089864
PNG
(CHEMBL3577702)
Show SMILES COc1ccc2C(=O)CC(CC(=O)N3CCN(CC3)C(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1
Show InChI InChI=1S/C27H28N4O6/c1-37-18-6-7-19-21(16-18)17(14-23(19)32)15-25(34)29-10-12-30(13-11-29)26(35)20-4-2-3-5-22(20)31-9-8-24(33)28-27(31)36/h2-7,16-17H,8-15H2,1H3,(H,28,33,36)
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n/an/a 195n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50089864
PNG
(CHEMBL3577702)
Show SMILES COc1ccc2C(=O)CC(CC(=O)N3CCN(CC3)C(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1
Show InChI InChI=1S/C27H28N4O6/c1-37-18-6-7-19-21(16-18)17(14-23(19)32)15-25(34)29-10-12-30(13-11-29)26(35)20-4-2-3-5-22(20)31-9-8-24(33)28-27(31)36/h2-7,16-17H,8-15H2,1H3,(H,28,33,36)
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n/an/a 200n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50089866
PNG
(CHEMBL3577625)
Show SMILES O=C(NCc1ccc(cc1)-n1cccn1)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C21H19N5O3/c27-19-10-13-25(21(29)24-19)18-5-2-1-4-17(18)20(28)22-14-15-6-8-16(9-7-15)26-12-3-11-23-26/h1-9,11-12H,10,13-14H2,(H,22,28)(H,24,27,29)
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n/an/a 220n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50089866
PNG
(CHEMBL3577625)
Show SMILES O=C(NCc1ccc(cc1)-n1cccn1)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C21H19N5O3/c27-19-10-13-25(21(29)24-19)18-5-2-1-4-17(18)20(28)22-14-15-6-8-16(9-7-15)26-12-3-11-23-26/h1-9,11-12H,10,13-14H2,(H,22,28)(H,24,27,29)
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n/an/a 224n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089865
PNG
(CHEMBL3577624)
Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)
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n/an/a 245n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089865
PNG
(CHEMBL3577624)
Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)
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n/an/a 250n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50089865
PNG
(CHEMBL3577624)
Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)
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n/an/a 257n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50089865
PNG
(CHEMBL3577624)
Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)
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n/an/a 260n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089864
PNG
(CHEMBL3577702)
Show SMILES COc1ccc2C(=O)CC(CC(=O)N3CCN(CC3)C(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1
Show InChI InChI=1S/C27H28N4O6/c1-37-18-6-7-19-21(16-18)17(14-23(19)32)15-25(34)29-10-12-30(13-11-29)26(35)20-4-2-3-5-22(20)31-9-8-24(33)28-27(31)36/h2-7,16-17H,8-15H2,1H3,(H,28,33,36)
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n/an/a 288n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089863
PNG
(CHEMBL3577701)
Show SMILES COc1ccc2C(=O)CC(CC(=O)NCCNC(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1
Show InChI InChI=1S/C25H26N4O6/c1-35-16-6-7-17-19(14-16)15(12-21(17)30)13-23(32)26-9-10-27-24(33)18-4-2-3-5-20(18)29-11-8-22(31)28-25(29)34/h2-7,14-15H,8-13H2,1H3,(H,26,32)(H,27,33)(H,28,31,34)
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n/an/a 288n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089863
PNG
(CHEMBL3577701)
Show SMILES COc1ccc2C(=O)CC(CC(=O)NCCNC(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1
Show InChI InChI=1S/C25H26N4O6/c1-35-16-6-7-17-19(14-16)15(12-21(17)30)13-23(32)26-9-10-27-24(33)18-4-2-3-5-20(18)29-11-8-22(31)28-25(29)34/h2-7,14-15H,8-13H2,1H3,(H,26,32)(H,27,33)(H,28,31,34)
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n/an/a 290n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089864
PNG
(CHEMBL3577702)
Show SMILES COc1ccc2C(=O)CC(CC(=O)N3CCN(CC3)C(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1
Show InChI InChI=1S/C27H28N4O6/c1-37-18-6-7-19-21(16-18)17(14-23(19)32)15-25(34)29-10-12-30(13-11-29)26(35)20-4-2-3-5-22(20)31-9-8-24(33)28-27(31)36/h2-7,16-17H,8-15H2,1H3,(H,28,33,36)
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n/an/a 290n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089866
PNG
(CHEMBL3577625)
Show SMILES O=C(NCc1ccc(cc1)-n1cccn1)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C21H19N5O3/c27-19-10-13-25(21(29)24-19)18-5-2-1-4-17(18)20(28)22-14-15-6-8-16(9-7-15)26-12-3-11-23-26/h1-9,11-12H,10,13-14H2,(H,22,28)(H,24,27,29)
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n/an/a 330n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM50089864
PNG
(CHEMBL3577702)
Show SMILES COc1ccc2C(=O)CC(CC(=O)N3CCN(CC3)C(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1
Show InChI InChI=1S/C27H28N4O6/c1-37-18-6-7-19-21(16-18)17(14-23(19)32)15-25(34)29-10-12-30(13-11-29)26(35)20-4-2-3-5-22(20)31-9-8-24(33)28-27(31)36/h2-7,16-17H,8-15H2,1H3,(H,28,33,36)
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n/an/a 330n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089866
PNG
(CHEMBL3577625)
Show SMILES O=C(NCc1ccc(cc1)-n1cccn1)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C21H19N5O3/c27-19-10-13-25(21(29)24-19)18-5-2-1-4-17(18)20(28)22-14-15-6-8-16(9-7-15)26-12-3-11-23-26/h1-9,11-12H,10,13-14H2,(H,22,28)(H,24,27,29)
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n/an/a 331n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM50089864
PNG
(CHEMBL3577702)
Show SMILES COc1ccc2C(=O)CC(CC(=O)N3CCN(CC3)C(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1
Show InChI InChI=1S/C27H28N4O6/c1-37-18-6-7-19-21(16-18)17(14-23(19)32)15-25(34)29-10-12-30(13-11-29)26(35)20-4-2-3-5-22(20)31-9-8-24(33)28-27(31)36/h2-7,16-17H,8-15H2,1H3,(H,28,33,36)
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n/an/a 331n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089858
PNG
(CHEMBL3577627)
Show SMILES Brc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)cc1
Show InChI InChI=1S/C19H18BrN3O3/c20-14-7-5-13(6-8-14)9-11-21-18(25)15-3-1-2-4-16(15)23-12-10-17(24)22-19(23)26/h1-8H,9-12H2,(H,21,25)(H,22,24,26)
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n/an/a 347n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089858
PNG
(CHEMBL3577627)
Show SMILES Brc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)cc1
Show InChI InChI=1S/C19H18BrN3O3/c20-14-7-5-13(6-8-14)9-11-21-18(25)15-3-1-2-4-16(15)23-12-10-17(24)22-19(23)26/h1-8H,9-12H2,(H,21,25)(H,22,24,26)
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n/an/a 350n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089862
PNG
(CHEMBL3577700)
Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r|
Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089862
PNG
(CHEMBL3577700)
Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r|
Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1
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n/an/a 372n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM50089862
PNG
(CHEMBL3577700)
Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r|
Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1
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n/an/a 468n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM50089862
PNG
(CHEMBL3577700)
Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r|
Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1
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n/an/a 470n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089859
PNG
(CHEMBL3577628)
Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)cc1
Show InChI InChI=1S/C19H18ClN3O3/c20-14-7-5-13(6-8-14)9-11-21-18(25)15-3-1-2-4-16(15)23-12-10-17(24)22-19(23)26/h1-8H,9-12H2,(H,21,25)(H,22,24,26)
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n/an/a 570n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089859
PNG
(CHEMBL3577628)
Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)cc1
Show InChI InChI=1S/C19H18ClN3O3/c20-14-7-5-13(6-8-14)9-11-21-18(25)15-3-1-2-4-16(15)23-12-10-17(24)22-19(23)26/h1-8H,9-12H2,(H,21,25)(H,22,24,26)
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n/an/a 575n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089867
PNG
(CHEMBL3577626)
Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)c(Cl)c1
Show InChI InChI=1S/C19H17Cl2N3O3/c20-13-6-5-12(15(21)11-13)7-9-22-18(26)14-3-1-2-4-16(14)24-10-8-17(25)23-19(24)27/h1-6,11H,7-10H2,(H,22,26)(H,23,25,27)
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n/an/a 676n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089867
PNG
(CHEMBL3577626)
Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)c(Cl)c1
Show InChI InChI=1S/C19H17Cl2N3O3/c20-13-6-5-12(15(21)11-13)7-9-22-18(26)14-3-1-2-4-16(14)24-10-8-17(25)23-19(24)27/h1-6,11H,7-10H2,(H,22,26)(H,23,25,27)
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n/an/a 700n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM50089858
PNG
(CHEMBL3577627)
Show SMILES Brc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)cc1
Show InChI InChI=1S/C19H18BrN3O3/c20-14-7-5-13(6-8-14)9-11-21-18(25)15-3-1-2-4-16(15)23-12-10-17(24)22-19(23)26/h1-8H,9-12H2,(H,21,25)(H,22,24,26)
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n/an/a 910n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM50089858
PNG
(CHEMBL3577627)
Show SMILES Brc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)cc1
Show InChI InChI=1S/C19H18BrN3O3/c20-14-7-5-13(6-8-14)9-11-21-18(25)15-3-1-2-4-16(15)23-12-10-17(24)22-19(23)26/h1-8H,9-12H2,(H,21,25)(H,22,24,26)
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n/an/a 912n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))		BDBM50089865
PNG
(CHEMBL3577624)
Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)
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n/an/a 2.19E+3n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP10 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity ...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))		BDBM50089865
PNG
(CHEMBL3577624)
Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)
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n/an/a 2.20E+3n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP10 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity ...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM50089859
PNG
(CHEMBL3577628)
Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)cc1
Show InChI InChI=1S/C19H18ClN3O3/c20-14-7-5-13(6-8-14)9-11-21-18(25)15-3-1-2-4-16(15)23-12-10-17(24)22-19(23)26/h1-8H,9-12H2,(H,21,25)(H,22,24,26)
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n/an/a 2.40E+3n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM50089859
PNG
(CHEMBL3577628)
Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)cc1
Show InChI InChI=1S/C19H18ClN3O3/c20-14-7-5-13(6-8-14)9-11-21-18(25)15-3-1-2-4-16(15)23-12-10-17(24)22-19(23)26/h1-8H,9-12H2,(H,21,25)(H,22,24,26)
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n/an/a 2.40E+3n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089861
PNG
(CHEMBL3577630)
Show SMILES CN(Cc1ccc(cc1)-n1cccn1)C(=O)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C22H21N5O3/c1-25(15-16-7-9-17(10-8-16)27-13-4-12-23-27)21(29)18-5-2-3-6-19(18)26-14-11-20(28)24-22(26)30/h2-10,12-13H,11,14-15H2,1H3,(H,24,28,30)
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n/an/a 2.46E+3n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089861
PNG
(CHEMBL3577630)
Show SMILES CN(Cc1ccc(cc1)-n1cccn1)C(=O)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C22H21N5O3/c1-25(15-16-7-9-17(10-8-16)27-13-4-12-23-27)21(29)18-5-2-3-6-19(18)26-14-11-20(28)24-22(26)30/h2-10,12-13H,11,14-15H2,1H3,(H,24,28,30)
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n/an/a 2.50E+3n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089860
PNG
(CHEMBL3577629)
Show SMILES O=C(NCCc1ccccc1)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C19H19N3O3/c23-17-11-13-22(19(25)21-17)16-9-5-4-8-15(16)18(24)20-12-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,24)(H,21,23,25)
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n/an/a 4.60E+3n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50089860
PNG
(CHEMBL3577629)
Show SMILES O=C(NCCc1ccccc1)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C19H19N3O3/c23-17-11-13-22(19(25)21-17)16-9-5-4-8-15(16)18(24)20-12-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,24)(H,21,23,25)
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n/an/a 4.68E+3n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM50089863
PNG
(CHEMBL3577701)
Show SMILES COc1ccc2C(=O)CC(CC(=O)NCCNC(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1
Show InChI InChI=1S/C25H26N4O6/c1-35-16-6-7-17-19(14-16)15(12-21(17)30)13-23(32)26-9-10-27-24(33)18-4-2-3-5-20(18)29-11-8-22(31)28-25(29)34/h2-7,14-15H,8-13H2,1H3,(H,26,32)(H,27,33)(H,28,31,34)
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n/an/a 7.90E+3n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM50089863
PNG
(CHEMBL3577701)
Show SMILES COc1ccc2C(=O)CC(CC(=O)NCCNC(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1
Show InChI InChI=1S/C25H26N4O6/c1-35-16-6-7-17-19(14-16)15(12-21(17)30)13-23(32)26-9-10-27-24(33)18-4-2-3-5-20(18)29-11-8-22(31)28-25(29)34/h2-7,14-15H,8-13H2,1H3,(H,26,32)(H,27,33)(H,28,31,34)
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n/an/a 7.94E+3n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM50089865
PNG
(CHEMBL3577624)
Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)
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n/an/a 8.10E+3n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM50089865
PNG
(CHEMBL3577624)
Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)
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n/an/a 8.13E+3n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM50089866
PNG
(CHEMBL3577625)
Show SMILES O=C(NCc1ccc(cc1)-n1cccn1)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C21H19N5O3/c27-19-10-13-25(21(29)24-19)18-5-2-1-4-17(18)20(28)22-14-15-6-8-16(9-7-15)26-12-3-11-23-26/h1-9,11-12H,10,13-14H2,(H,22,28)(H,24,27,29)
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n/an/a 8.30E+3n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM50089866
PNG
(CHEMBL3577625)
Show SMILES O=C(NCc1ccc(cc1)-n1cccn1)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C21H19N5O3/c27-19-10-13-25(21(29)24-19)18-5-2-1-4-17(18)20(28)22-14-15-6-8-16(9-7-15)26-12-3-11-23-26/h1-9,11-12H,10,13-14H2,(H,22,28)(H,24,27,29)
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n/an/a 8.32E+3n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))		BDBM50089864
PNG
(CHEMBL3577702)
Show SMILES COc1ccc2C(=O)CC(CC(=O)N3CCN(CC3)C(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1
Show InChI InChI=1S/C27H28N4O6/c1-37-18-6-7-19-21(16-18)17(14-23(19)32)15-25(34)29-10-12-30(13-11-29)26(35)20-4-2-3-5-22(20)31-9-8-24(33)28-27(31)36/h2-7,16-17H,8-15H2,1H3,(H,28,33,36)
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n/an/a 3.39E+4n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP10 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity ...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))		BDBM50089864
PNG
(CHEMBL3577702)
Show SMILES COc1ccc2C(=O)CC(CC(=O)N3CCN(CC3)C(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1
Show InChI InChI=1S/C27H28N4O6/c1-37-18-6-7-19-21(16-18)17(14-23(19)32)15-25(34)29-10-12-30(13-11-29)26(35)20-4-2-3-5-22(20)31-9-8-24(33)28-27(31)36/h2-7,16-17H,8-15H2,1H3,(H,28,33,36)
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n/an/a 3.40E+4n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP10 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity ...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))		BDBM50089859
PNG
(CHEMBL3577628)
Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)cc1
Show InChI InChI=1S/C19H18ClN3O3/c20-14-7-5-13(6-8-14)9-11-21-18(25)15-3-1-2-4-16(15)23-12-10-17(24)22-19(23)26/h1-8H,9-12H2,(H,21,25)(H,22,24,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP10 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity ...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))		BDBM50089866
PNG
(CHEMBL3577625)
Show SMILES O=C(NCc1ccc(cc1)-n1cccn1)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C21H19N5O3/c27-19-10-13-25(21(29)24-19)18-5-2-1-4-17(18)20(28)22-14-15-6-8-16(9-7-15)26-12-3-11-23-26/h1-9,11-12H,10,13-14H2,(H,22,28)(H,24,27,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP10 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity ...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))		BDBM50089862
PNG
(CHEMBL3577700)
Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r|
Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP10 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity ...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))		BDBM50089867
PNG
(CHEMBL3577626)
Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)c(Cl)c1
Show InChI InChI=1S/C19H17Cl2N3O3/c20-13-6-5-12(15(21)11-13)7-9-22-18(26)14-3-1-2-4-16(14)24-10-8-17(25)23-19(24)27/h1-6,11H,7-10H2,(H,22,26)(H,23,25,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP10 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity ...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))		BDBM50089858
PNG
(CHEMBL3577627)
Show SMILES Brc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)cc1
Show InChI InChI=1S/C19H18BrN3O3/c20-14-7-5-13(6-8-14)9-11-21-18(25)15-3-1-2-4-16(15)23-12-10-17(24)22-19(23)26/h1-8H,9-12H2,(H,21,25)(H,22,24,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of full length PARP10 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity ...

J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%