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SMILES: COCCNC(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1

InChI Key: InChIKey=OQVZEOQBVKUEDQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50238426   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50238426
PNG
(CHEMBL4068660)
Show SMILES COCCNC(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C18H17N7O2/c1-27-11-10-19-18(26)12-6-8-13(9-7-12)20-16-17-22-23-24-25(17)15-5-3-2-4-14(15)21-16/h2-9H,10-11H2,1H3,(H,19,26)(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 631n/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
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50238426
PNG
(CHEMBL4068660)
Show SMILES COCCNC(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C18H17N7O2/c1-27-11-10-19-18(26)12-6-8-13(9-7-12)20-16-17-22-23-24-25(17)15-5-3-2-4-14(15)21-16/h2-9H,10-11H2,1H3,(H,19,26)(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/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