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PubMed code 26396691

Compile data set for download or QSAR
Found 20 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 tankyrase-2


(Homo sapiens (Human))
BDBM50498901
PNG
(CHEMBL3735517)
Show SMILES CC(C)(C)C1Cc2[nH]c(=O)c3ccccc3c2CO1
Show InChI InChI=1S/C16H19NO2/c1-16(2,3)14-8-13-12(9-19-14)10-6-4-5-7-11(10)15(18)17-13/h4-7,14H,8-9H2,1-3H3,(H,17,18)
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n/an/a<60n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by fluorescence analysis


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50498903
PNG
(CHEMBL3735964)
Show SMILES O=C(C1COC1)N1CCC(CC1)C1Cc2[nH]c(=O)c3ccccc3c2CO1
Show InChI InChI=1S/C21H24N2O4/c24-20-16-4-2-1-3-15(16)17-12-27-19(9-18(17)22-20)13-5-7-23(8-6-13)21(25)14-10-26-11-14/h1-4,13-14,19H,5-12H2,(H,22,24)
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n/an/a<60n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by fluorescence analysis


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50498905
PNG
(CHEMBL3736012)
Show SMILES Cc1cccc2c1c1COC(Cc1[nH]c2=O)C(C)(C)CO
Show InChI InChI=1S/C17H21NO3/c1-10-5-4-6-11-15(10)12-8-21-14(17(2,3)9-19)7-13(12)18-16(11)20/h4-6,14,19H,7-9H2,1-3H3,(H,18,20)
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Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by fluorescence analysis


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50498904
PNG
(CHEMBL3734991)
Show SMILES CC(C)C1Cc2[nH]c(=O)c3cccc(C)c3c2CO1
Show InChI InChI=1S/C16H19NO2/c1-9(2)14-7-13-12(8-19-14)15-10(3)5-4-6-11(15)16(18)17-13/h4-6,9,14H,7-8H2,1-3H3,(H,17,18)
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n/an/a<60n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by fluorescence analysis


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50498897
PNG
(CHEMBL3734971)
Show SMILES CC(C)(CO)C1Cc2[nH]c(=O)c3ccccc3c2CO1
Show InChI InChI=1S/C16H19NO3/c1-16(2,9-18)14-7-13-12(8-20-14)10-5-3-4-6-11(10)15(19)17-13/h3-6,14,18H,7-9H2,1-2H3,(H,17,19)
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n/an/a<60n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by fluorescence analysis


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50498898
PNG
(CHEMBL3736494)
Show SMILES CC(C)C1Cc2[nH]c(=O)c3ccccc3c2CO1
Show InChI InChI=1S/C15H17NO2/c1-9(2)14-7-13-12(8-18-14)10-5-3-4-6-11(10)15(17)16-13/h3-6,9,14H,7-8H2,1-2H3,(H,16,17)
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n/an/a<60n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by fluorescence analysis


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50498900
PNG
(CHEMBL3736145)
Show SMILES CS(=O)(=O)N1CCC(C1)C1Cc2[nH]c(=O)c3ccccc3c2CO1
Show InChI InChI=1S/C17H20N2O4S/c1-24(21,22)19-7-6-11(9-19)16-8-15-14(10-23-16)12-4-2-3-5-13(12)17(20)18-15/h2-5,11,16H,6-10H2,1H3,(H,18,20)
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Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by fluorescence analysis


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50498899
PNG
(CHEMBL3736005)
Show SMILES CC(C)C1Cc2[nH]c(=O)c3cccnc3c2CO1
Show InChI InChI=1S/C14H16N2O2/c1-8(2)12-6-11-10(7-18-12)13-9(14(17)16-11)4-3-5-15-13/h3-5,8,12H,6-7H2,1-2H3,(H,16,17)
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n/an/a 93n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by fluorescence analysis


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50321122
PNG
(2-Ethylquinazolin-4(3H)-one | CHEMBL1163173)
Show SMILES Clc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H9ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
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n/an/a 140n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNKS1 (unknown origin) by fluorescence analysis


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50321122
PNG
(2-Ethylquinazolin-4(3H)-one | CHEMBL1163173)
Show SMILES Clc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H9ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
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n/an/a 200n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by fluorescence analysis


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50498902
PNG
(CHEMBL1527375)
Show SMILES CC(C)C1Cc2nc(O)c(cc2CO1)C#N
Show InChI InChI=1S/C12H14N2O2/c1-7(2)11-4-10-9(6-16-11)3-8(5-13)12(15)14-10/h3,7,11H,4,6H2,1-2H3,(H,14,15)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNKS1 (unknown origin) by fluorescence analysis


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50498902
PNG
(CHEMBL1527375)
Show SMILES CC(C)C1Cc2nc(O)c(cc2CO1)C#N
Show InChI InChI=1S/C12H14N2O2/c1-7(2)11-4-10-9(6-16-11)3-8(5-13)12(15)14-10/h3,7,11H,4,6H2,1-2H3,(H,14,15)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by fluorescence analysis


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2


(Homo sapiens (Human))
BDBM50498904
PNG
(CHEMBL3734991)
Show SMILES CC(C)C1Cc2[nH]c(=O)c3cccc(C)c3c2CO1
Show InChI InChI=1S/C16H19NO2/c1-9(2)14-7-13-12(8-19-14)15-10(3)5-4-6-11(15)16(18)17-13/h4-6,9,14H,7-8H2,1-3H3,(H,17,18)
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Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tankyrase in human DLD1 cells assessed as T-cell factor level after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2


(Homo sapiens (Human))
BDBM50498901
PNG
(CHEMBL3735517)
Show SMILES CC(C)(C)C1Cc2[nH]c(=O)c3ccccc3c2CO1
Show InChI InChI=1S/C16H19NO2/c1-16(2,3)14-8-13-12(9-19-14)10-6-4-5-7-11(10)15(18)17-13/h4-7,14H,8-9H2,1-3H3,(H,17,18)
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n/an/an/an/a 127n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tankyrase in human DLD1 cells assessed as T-cell factor level after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2


(Homo sapiens (Human))
BDBM50498898
PNG
(CHEMBL3736494)
Show SMILES CC(C)C1Cc2[nH]c(=O)c3ccccc3c2CO1
Show InChI InChI=1S/C15H17NO2/c1-9(2)14-7-13-12(8-18-14)10-5-3-4-6-11(10)15(17)16-13/h3-6,9,14H,7-8H2,1-2H3,(H,16,17)
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n/an/an/an/a 320n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tankyrase in human DLD1 cells assessed as T-cell factor level after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2


(Homo sapiens (Human))
BDBM50498900
PNG
(CHEMBL3736145)
Show SMILES CS(=O)(=O)N1CCC(C1)C1Cc2[nH]c(=O)c3ccccc3c2CO1
Show InChI InChI=1S/C17H20N2O4S/c1-24(21,22)19-7-6-11(9-19)16-8-15-14(10-23-16)12-4-2-3-5-13(12)17(20)18-15/h2-5,11,16H,6-10H2,1H3,(H,18,20)
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n/an/an/an/a 47n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tankyrase in human DLD1 cells assessed as T-cell factor level after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2


(Homo sapiens (Human))
BDBM50498903
PNG
(CHEMBL3735964)
Show SMILES O=C(C1COC1)N1CCC(CC1)C1Cc2[nH]c(=O)c3ccccc3c2CO1
Show InChI InChI=1S/C21H24N2O4/c24-20-16-4-2-1-3-15(16)17-12-27-19(9-18(17)22-20)13-5-7-23(8-6-13)21(25)14-10-26-11-14/h1-4,13-14,19H,5-12H2,(H,22,24)
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n/an/an/an/a 31n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tankyrase in human DLD1 cells assessed as T-cell factor level after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2


(Homo sapiens (Human))
BDBM50498899
PNG
(CHEMBL3736005)
Show SMILES CC(C)C1Cc2[nH]c(=O)c3cccnc3c2CO1
Show InChI InChI=1S/C14H16N2O2/c1-8(2)12-6-11-10(7-18-12)13-9(14(17)16-11)4-3-5-15-13/h3-5,8,12H,6-7H2,1-2H3,(H,16,17)
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n/an/an/an/a 810n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tankyrase in human DLD1 cells assessed as T-cell factor level after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2


(Homo sapiens (Human))
BDBM50498897
PNG
(CHEMBL3734971)
Show SMILES CC(C)(CO)C1Cc2[nH]c(=O)c3ccccc3c2CO1
Show InChI InChI=1S/C16H19NO3/c1-16(2,9-18)14-7-13-12(8-20-14)10-5-3-4-6-11(10)15(19)17-13/h3-6,14,18H,7-9H2,1-2H3,(H,17,19)
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n/an/an/an/a 341n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tankyrase in human DLD1 cells assessed as T-cell factor level after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2


(Homo sapiens (Human))
BDBM50498905
PNG
(CHEMBL3736012)
Show SMILES Cc1cccc2c1c1COC(Cc1[nH]c2=O)C(C)(C)CO
Show InChI InChI=1S/C17H21NO3/c1-10-5-4-6-11-15(10)12-8-21-14(17(2,3)9-19)7-13(12)18-16(11)20/h4-6,14,19H,7-9H2,1-3H3,(H,18,20)
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n/an/an/an/a 7n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tankyrase in human DLD1 cells assessed as T-cell factor level after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 6: 1019-24 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00251
BindingDB Entry DOI: 10.7270/Q25B05GZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%