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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 = 'BDBM50272955'   
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))
BDBM50272955
PNG
(CHEMBL4129001)
Show SMILES NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H22FN3O3/c25-19-6-8-20(9-7-19)27-12-14-28(15-13-27)24(30)18-2-1-3-22(16-18)31-21-10-4-17(5-11-21)23(26)29/h1-11,16H,12-15H2,(H2,26,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.35E+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))
BDBM50272955
PNG
(CHEMBL4129001)
Show SMILES NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H22FN3O3/c25-19-6-8-20(9-7-19)27-12-14-28(15-13-27)24(30)18-2-1-3-22(16-18)31-21-10-4-17(5-11-21)23(26)29/h1-11,16H,12-15H2,(H2,26,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+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