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BDBM50242662 CHEMBL4059706

SMILES: NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ncccn2)c1

InChI Key: InChIKey=WQPZTZYCMKZLAF-WAYWQWQTSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50242662   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase 14


(Homo sapiens (Human))
BDBM50242662
PNG
(CHEMBL4059706)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ncccn2)c1
Show InChI InChI=1S/C19H20N6O3/c20-18(28)14-3-1-4-15(13-14)23-16(26)5-6-17(27)24-9-11-25(12-10-24)19-21-7-2-8-22-19/h1-8,13H,9-12H2,(H2,20,28)(H,23,26)/b6-5-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...


Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 14


(Homo sapiens (Human))
BDBM50242662
PNG
(CHEMBL4059706)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ncccn2)c1
Show InChI InChI=1S/C19H20N6O3/c20-18(28)14-3-1-4-15(13-14)23-16(26)5-6-17(27)24-9-11-25(12-10-24)19-21-7-2-8-22-19/h1-8,13H,9-12H2,(H2,20,28)(H,23,26)/b6-5-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.82E+3n/an/an/an/an/an/a



McDaniel College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...


Bioorg Med Chem Lett 27: 2907-2911 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.089
BindingDB Entry DOI: 10.7270/Q24X5B5F
More data for this
Ligand-Target Pair