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BDBM50079620 CHEMBL3414775

SMILES: COC(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O

InChI Key: InChIKey=KXULAXICDCSUDZ-WAYWQWQTSA-N

Data: 8 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 8 hits for monomerid = 50079620   
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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD8 or PARP14)


(Homo sapiens (Human))
BDBM50079620
PNG
(CHEMBL3414775)
Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H12N2O4/c1-18-11(16)6-5-10(15)14-9-4-2-3-8(7-9)12(13)17/h2-7H,1H3,(H2,13,17)(H,14,15)/b6-5-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.66E+3n/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)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD7 or PARP15)


(Homo sapiens (Human))
BDBM50079620
PNG
(CHEMBL3414775)
Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H12N2O4/c1-18-11(16)6-5-10(15)14-9-4-2-3-8(7-9)12(13)17/h2-7H,1H3,(H2,13,17)(H,14,15)/b6-5-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.74E+3n/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)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50079620
PNG
(CHEMBL3414775)
Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H12N2O4/c1-18-11(16)6-5-10(15)14-9-4-2-3-8(7-9)12(13)17/h2-7H,1H3,(H2,13,17)(H,14,15)/b6-5-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.37E+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)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50079620
PNG
(CHEMBL3414775)
Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H12N2O4/c1-18-11(16)6-5-10(15)14-9-4-2-3-8(7-9)12(13)17/h2-7H,1H3,(H2,13,17)(H,14,15)/b6-5-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 759n/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)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50079620
PNG
(CHEMBL3414775)
Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H12N2O4/c1-18-11(16)6-5-10(15)14-9-4-2-3-8(7-9)12(13)17/h2-7H,1H3,(H2,13,17)(H,14,15)/b6-5-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/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)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD8 or PARP14)


(Homo sapiens (Human))
BDBM50079620
PNG
(CHEMBL3414775)
Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H12N2O4/c1-18-11(16)6-5-10(15)14-9-4-2-3-8(7-9)12(13)17/h2-7H,1H3,(H2,13,17)(H,14,15)/b6-5-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/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)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD7 or PARP15)


(Homo sapiens (Human))
BDBM50079620
PNG
(CHEMBL3414775)
Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H12N2O4/c1-18-11(16)6-5-10(15)14-9-4-2-3-8(7-9)12(13)17/h2-7H,1H3,(H2,13,17)(H,14,15)/b6-5-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/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)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50079620
PNG
(CHEMBL3414775)
Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H12N2O4/c1-18-11(16)6-5-10(15)14-9-4-2-3-8(7-9)12(13)17/h2-7H,1H3,(H2,13,17)(H,14,15)/b6-5-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.40E+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)

More data for this
Ligand-Target Pair