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BDBM50079628 CHEMBL3414767

SMILES: NC(=O)c1cccc(NC(=O)C2CC2C(O)=O)c1

InChI Key: InChIKey=RHPADPRZKCJXCF-UHFFFAOYSA-N

Data: 6 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50079628   
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 1


(Homo sapiens (human))
BDBM50079628
PNG
(CHEMBL3414767)
Show SMILES NC(=O)c1cccc(NC(=O)C2CC2C(O)=O)c1
Show InChI InChI=1S/C12H12N2O4/c13-10(15)6-2-1-3-7(4-6)14-11(16)8-5-9(8)12(17)18/h1-4,8-9H,5H2,(H2,13,15)(H,14,16)(H,17,18)
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Article
PubMed
n/an/a 5.62E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD8 or PARP14)


(Homo sapiens (Human))
BDBM50079628
PNG
(CHEMBL3414767)
Show SMILES NC(=O)c1cccc(NC(=O)C2CC2C(O)=O)c1
Show InChI InChI=1S/C12H12N2O4/c13-10(15)6-2-1-3-7(4-6)14-11(16)8-5-9(8)12(17)18/h1-4,8-9H,5H2,(H2,13,15)(H,14,16)(H,17,18)
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged human recombinant ARTD8 catalytic domain (1611 to 1801 amino acids) expressed in Escherichia coli BL21(DE3) assess...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD7 or PARP15)


(Homo sapiens (Human))
BDBM50079628
PNG
(CHEMBL3414767)
Show SMILES NC(=O)c1cccc(NC(=O)C2CC2C(O)=O)c1
Show InChI InChI=1S/C12H12N2O4/c13-10(15)6-2-1-3-7(4-6)14-11(16)8-5-9(8)12(17)18/h1-4,8-9H,5H2,(H2,13,15)(H,14,16)(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged human recombinant ARTD7 catalytic domain (459 to 656 amino acids) expressed in Escherichia coli BL21(DE3) assessed...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50079628
PNG
(CHEMBL3414767)
Show SMILES NC(=O)c1cccc(NC(=O)C2CC2C(O)=O)c1
Show InChI InChI=1S/C12H12N2O4/c13-10(15)6-2-1-3-7(4-6)14-11(16)8-5-9(8)12(17)18/h1-4,8-9H,5H2,(H2,13,15)(H,14,16)(H,17,18)
PDB

UniProtKB/SwissProt

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PC cid
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UniChem

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Article
PubMed
n/an/a 1.41E+4n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD10 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosyl...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50079628
PNG
(CHEMBL3414767)
Show SMILES NC(=O)c1cccc(NC(=O)C2CC2C(O)=O)c1
Show InChI InChI=1S/C12H12N2O4/c13-10(15)6-2-1-3-7(4-6)14-11(16)8-5-9(8)12(17)18/h1-4,8-9H,5H2,(H2,13,15)(H,14,16)(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD10 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosyl...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50079628
PNG
(CHEMBL3414767)
Show SMILES NC(=O)c1cccc(NC(=O)C2CC2C(O)=O)c1
Show InChI InChI=1S/C12H12N2O4/c13-10(15)6-2-1-3-7(4-6)14-11(16)8-5-9(8)12(17)18/h1-4,8-9H,5H2,(H2,13,15)(H,14,16)(H,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair