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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein mono-ADP-ribosyltransferase PARP14' and Ligand = 'BDBM50272953'   
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
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50272953
PNG
(CHEMBL4128574)
Show SMILES NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCC(CC2)c2cccc(F)c2)cc1
Show InChI InChI=1S/C25H23FN2O3/c26-21-5-1-3-19(15-21)17-11-13-28(14-12-17)25(30)20-4-2-6-23(16-20)31-22-9-7-18(8-10-22)24(27)29/h1-10,15-17H,11-14H2,(H2,27,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.45E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant His6-tagged human PARP14 WWA/catalytic domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins ...


Bioorg Med Chem Lett 28: 2050-2054 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.056
BindingDB Entry DOI: 10.7270/Q2RR21R2
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50272953
PNG
(CHEMBL4128574)
Show SMILES NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCC(CC2)c2cccc(F)c2)cc1
Show InChI InChI=1S/C25H23FN2O3/c26-21-5-1-3-19(15-21)17-11-13-28(14-12-17)25(30)20-4-2-6-23(16-20)31-22-9-7-18(8-10-22)24(27)29/h1-10,15-17H,11-14H2,(H2,27,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant His6-tagged human PARP14 WWA/catalytic domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins ...


Bioorg Med Chem Lett 28: 2050-2054 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.056
BindingDB Entry DOI: 10.7270/Q2RR21R2
More data for this
Ligand-Target Pair