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Compile Data Set for Download or QSAR

Found 9 hits of ic50 for monomerid = 50238425   
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-1


(Homo sapiens (Human))
BDBM50238425
PNG
(CHEMBL4064332)
Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)
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n/an/a 126n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL


Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50238425
PNG
(CHEMBL4064332)
Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)
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n/an/a 200n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL


Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced...


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP4


(Homo sapiens (Human))
BDBM50238425
PNG
(CHEMBL4064332)
Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)
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n/an/a<5.01E+3n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL


Assay Description
Binding affinity to PARP4 in human Jurkat cell extract after 45 mins by mass spectrometric analysis


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP11


(Homo sapiens)
BDBM50238425
PNG
(CHEMBL4064332)
Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)
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n/an/a<5.01E+3n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL


Assay Description
Binding affinity to PARP11 in human Jurkat cell extract after 45 mins by mass spectrometric analysis


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50238425
PNG
(CHEMBL4064332)
Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)
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n/an/a<5.01E+3n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Leucine aminopeptidase and the inhibition constant was determined after preincubating the enzyme and inh...


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50238425
PNG
(CHEMBL4064332)
Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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n/an/a<5.01E+3n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL


Assay Description
Binding affinity to PARP2 in human Jurkat cell extract after 45 mins by mass spectrometric analysis


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50238425
PNG
(CHEMBL4064332)
Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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n/an/a<5.01E+3n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL


Assay Description
Binding affinity to PARP1 in human Jurkat cell extract after 45 mins by mass spectrometric analysis


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50238425
PNG
(CHEMBL4064332)
Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
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Article
PubMed
n/an/a<5.01E+3n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL


Assay Description
Binding affinity to PARP10 in human Jurkat cell extract after 45 mins by mass spectrometric analysis


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP16


(Homo sapiens (Human))
BDBM50238425
PNG
(CHEMBL4064332)
Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a<5.01E+3n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL


Assay Description
Binding affinity to PARP16 in human Jurkat cell extract after 45 mins by mass spectrometric analysis


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS
More data for this
Ligand-Target Pair