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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 = 'BDBM50272968'   
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))
BDBM50272968
PNG
(CHEMBL4126260)
Show SMILES NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCN(CC2)c2ccc(F)c(F)c2)cc1
Show InChI InChI=1S/C24H21F2N3O3/c25-21-9-6-18(15-22(21)26)28-10-12-29(13-11-28)24(31)17-2-1-3-20(14-17)32-19-7-4-16(5-8-19)23(27)30/h1-9,14-15H,10-13H2,(H2,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 692n/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))
BDBM50272968
PNG
(CHEMBL4126260)
Show SMILES NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCN(CC2)c2ccc(F)c(F)c2)cc1
Show InChI InChI=1S/C24H21F2N3O3/c25-21-9-6-18(15-22(21)26)28-10-12-29(13-11-28)24(31)17-2-1-3-20(14-17)32-19-7-4-16(5-8-19)23(27)30/h1-9,14-15H,10-13H2,(H2,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/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