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BDBM50272969 CHEMBL4129542

SMILES: NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCC(C2)c2ccccc2)cc1

InChI Key: InChIKey=WDWIGSXTKMTQPI-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50272969   
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))
BDBM50272969
PNG
(CHEMBL4129542)
Show SMILES NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCC(C2)c2ccccc2)cc1
Show InChI InChI=1S/C24H22N2O3/c25-23(27)18-9-11-21(12-10-18)29-22-8-4-7-19(15-22)24(28)26-14-13-20(16-26)17-5-2-1-3-6-17/h1-12,15,20H,13-14,16H2,(H2,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+3n/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
Poly [ADP-ribose] polymerase 10


(Homo sapiens (Human))
BDBM50272969
PNG
(CHEMBL4129542)
Show SMILES NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCC(C2)c2ccccc2)cc1
Show InChI InChI=1S/C24H22N2O3/c25-23(27)18-9-11-21(12-10-18)29-22-8-4-7-19(15-22)24(28)26-14-13-20(16-26)17-5-2-1-3-6-17/h1-12,15,20H,13-14,16H2,(H2,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 780n/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
Poly [ADP-ribose] polymerase 14


(Homo sapiens (Human))
BDBM50272969
PNG
(CHEMBL4129542)
Show SMILES NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCC(C2)c2ccccc2)cc1
Show InChI InChI=1S/C24H22N2O3/c25-23(27)18-9-11-21(12-10-18)29-22-8-4-7-19(15-22)24(28)26-14-13-20(16-26)17-5-2-1-3-6-17/h1-12,15,20H,13-14,16H2,(H2,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.24E+3n/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
Poly [ADP-ribose] polymerase 10


(Homo sapiens (Human))
BDBM50272969
PNG
(CHEMBL4129542)
Show SMILES NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCC(C2)c2ccccc2)cc1
Show InChI InChI=1S/C24H22N2O3/c25-23(27)18-9-11-21(12-10-18)29-22-8-4-7-19(15-22)24(28)26-14-13-20(16-26)17-5-2-1-3-6-17/h1-12,15,20H,13-14,16H2,(H2,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 776n/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