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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50001221   
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))
BDBM50242631
PNG
(CHEMBL4068366)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H21ClN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant His6-tagged PARP14 catalytic domain (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence ba...


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))
BDBM50242630
PNG
(CHEMBL4089522)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC sid
UniChem

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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 PARP14 catalytic domain (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence ba...


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))
BDBM199181
PNG
(4-[(4-Carbamoylcyclohexyl)oxy]cyclohexane-1-carbox...)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1
Show InChI InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.34E+4n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant His6-tagged PARP14 catalytic domain (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence ba...


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