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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein mono-ADP-ribosyltransferase PARP10' and Ligand = 'BDBM50272962'   
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 PARP10


(Homo sapiens (Human))
BDBM50272962
PNG
(CHEMBL4129939)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1cccc(Oc2ccc(cc2)C(N)=O)c1
Show InChI InChI=1S/C22H24N2O5/c1-2-28-22(27)16-10-12-24(13-11-16)21(26)17-4-3-5-19(14-17)29-18-8-6-15(7-9-18)20(23)25/h3-9,14,16H,2,10-13H2,1H3,(H2,23,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.06E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant His6-tagged human PARP10 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinyla...


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 PARP10


(Homo sapiens (Human))
BDBM50272962
PNG
(CHEMBL4129939)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1cccc(Oc2ccc(cc2)C(N)=O)c1
Show InChI InChI=1S/C22H24N2O5/c1-2-28-22(27)16-10-12-24(13-11-16)21(26)17-4-3-5-19(14-17)29-18-8-6-15(7-9-18)20(23)25/h3-9,14,16H,2,10-13H2,1H3,(H2,23,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.07E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant His6-tagged human PARP10 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinyla...


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