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BDBM50079625 CHEMBL3414770

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

InChI Key: InChIKey=HPBCPSNBTRKOJM-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50079625   
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))
BDBM50079625
PNG
(CHEMBL3414770)
Show SMILES NC(=O)c1cccc(NC(=O)CCCC(O)=O)c1
Show InChI InChI=1S/C12H14N2O4/c13-12(18)8-3-1-4-9(7-8)14-10(15)5-2-6-11(16)17/h1,3-4,7H,2,5-6H2,(H2,13,18)(H,14,15)(H,16,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.72E+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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50079625
PNG
(CHEMBL3414770)
Show SMILES NC(=O)c1cccc(NC(=O)CCCC(O)=O)c1
Show InChI InChI=1S/C12H14N2O4/c13-12(18)8-3-1-4-9(7-8)14-10(15)5-2-6-11(16)17/h1,3-4,7H,2,5-6H2,(H2,13,18)(H,14,15)(H,16,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70E+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 (ARTD7 or PARP15)


(Homo sapiens (Human))
BDBM50079625
PNG
(CHEMBL3414770)
Show SMILES NC(=O)c1cccc(NC(=O)CCCC(O)=O)c1
Show InChI InChI=1S/C12H14N2O4/c13-12(18)8-3-1-4-9(7-8)14-10(15)5-2-6-11(16)17/h1,3-4,7H,2,5-6H2,(H2,13,18)(H,14,15)(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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))
BDBM50079625
PNG
(CHEMBL3414770)
Show SMILES NC(=O)c1cccc(NC(=O)CCCC(O)=O)c1
Show InChI InChI=1S/C12H14N2O4/c13-12(18)8-3-1-4-9(7-8)14-10(15)5-2-6-11(16)17/h1,3-4,7H,2,5-6H2,(H2,13,18)(H,14,15)(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.40E+3n/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 (ARTD8 or PARP14)


(Homo sapiens (Human))
BDBM50079625
PNG
(CHEMBL3414770)
Show SMILES NC(=O)c1cccc(NC(=O)CCCC(O)=O)c1
Show InChI InChI=1S/C12H14N2O4/c13-12(18)8-3-1-4-9(7-8)14-10(15)5-2-6-11(16)17/h1,3-4,7H,2,5-6H2,(H2,13,18)(H,14,15)(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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 (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50079625
PNG
(CHEMBL3414770)
Show SMILES NC(=O)c1cccc(NC(=O)CCCC(O)=O)c1
Show InChI InChI=1S/C12H14N2O4/c13-12(18)8-3-1-4-9(7-8)14-10(15)5-2-6-11(16)17/h1,3-4,7H,2,5-6H2,(H2,13,18)(H,14,15)(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.41E+3n/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