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Compile Data Set for Download or QSAR

Found 13 hits of ic50 for monomerid = 50136772   
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))
BDBM50136772
PNG
(CHEMBL3752492)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccncn1)c1ccccc1Cl
Show InChI InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31)
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n/an/a 37n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human TNKS2 by fluorescence analysis


Bioorg Med Chem Lett 26: 328-33 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50136772
PNG
(CHEMBL3752492)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccncn1)c1ccccc1Cl
Show InChI InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31)
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n/an/a 37n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human TNKS2 by fluorescence analysis


Bioorg Med Chem Lett 26: 328-33 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50136772
PNG
(CHEMBL3752492)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccncn1)c1ccccc1Cl
Show InChI InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31)
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n/an/a 550n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 by fluorescence analysis


Bioorg Med Chem Lett 26: 328-33 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50136772
PNG
(CHEMBL3752492)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccncn1)c1ccccc1Cl
Show InChI InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31)
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n/an/a 550n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 by fluorescence analysis


Bioorg Med Chem Lett 26: 328-33 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2


(Homo sapiens (Human))
BDBM50136772
PNG
(CHEMBL3752492)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccncn1)c1ccccc1Cl
Show InChI InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31)
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n/an/a 1.91E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of tankyrase in WNT3a-stimulated human HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 26: 328-33 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP12


(Homo sapiens (Human))
BDBM50136772
PNG
(CHEMBL3752492)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccncn1)c1ccccc1Cl
Show InChI InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human ARTD12 by fluorescence analysis


Bioorg Med Chem Lett 26: 328-33 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50136772
PNG
(CHEMBL3752492)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccncn1)c1ccccc1Cl
Show InChI InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human ARTD8 by fluorescence analysis


Bioorg Med Chem Lett 26: 328-33 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50136772
PNG
(CHEMBL3752492)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccncn1)c1ccccc1Cl
Show InChI InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human ARTD10 by fluorescence analysis


Bioorg Med Chem Lett 26: 328-33 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP15


(Homo sapiens (Human))
BDBM50136772
PNG
(CHEMBL3752492)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccncn1)c1ccccc1Cl
Show InChI InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human ARTD7 by fluorescence analysis


Bioorg Med Chem Lett 26: 328-33 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50136772
PNG
(CHEMBL3752492)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccncn1)c1ccccc1Cl
Show InChI InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31)
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n/an/a 7.70E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human ARTD1 by fluorescence analysis


Bioorg Med Chem Lett 26: 328-33 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP4


(Homo sapiens (Human))
BDBM50136772
PNG
(CHEMBL3752492)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccncn1)c1ccccc1Cl
Show InChI InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human ARTD4 by fluorescence analysis


Bioorg Med Chem Lett 26: 328-33 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H]


(Homo sapiens (Human))
BDBM50136772
PNG
(CHEMBL3752492)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccncn1)c1ccccc1Cl
Show InChI InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human ARTD3 by fluorescence analysis


Bioorg Med Chem Lett 26: 328-33 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50136772
PNG
(CHEMBL3752492)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccncn1)c1ccccc1Cl
Show InChI InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31)
PDB

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human ARTD2 by fluorescence analysis


Bioorg Med Chem Lett 26: 328-33 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.018
BindingDB Entry DOI: 10.7270/Q20003ZD
More data for this
Ligand-Target Pair