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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA nucleotidylexotransferase' and Ligand = 'BDBM50442209'   
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
DNA nucleotidylexotransferase


(Homo sapiens (Human))
BDBM50442209
PNG
(CHEMBL2441980)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccc(cc1)C#N |w:11.11|
Show InChI InChI=1S/C20H16N2O5/c1-2-27-20(26)18(24)10-17(23)8-7-16-9-15(12-22-16)19(25)14-5-3-13(11-21)4-6-14/h3-9,12,22H,2,10H2,1H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Competitive inhibition of human TdT using TTP as substrate


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA nucleotidylexotransferase


(Homo sapiens (Human))
BDBM50442209
PNG
(CHEMBL2441980)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccc(cc1)C#N |w:11.11|
Show InChI InChI=1S/C20H16N2O5/c1-2-27-20(26)18(24)10-17(23)8-7-16-9-15(12-22-16)19(25)14-5-3-13(11-21)4-6-14/h3-9,12,22H,2,10H2,1H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human TdT using 3'-OH as substrate


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair