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BDBM50079613 CHEMBL3414763

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

InChI Key: InChIKey=LIPKKIQXIGUIAW-ALCCZGGFSA-N

Data: 5 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 5 hits for monomerid = 50079613   
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 (PARP1)


(Homo sapiens (human))
BDBM50079613
PNG
(CHEMBL3414763)
Show SMILES C\C(=C\C(O)=O)C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H12N2O4/c1-7(5-10(15)16)12(18)14-9-4-2-3-8(6-9)11(13)17/h2-6H,1H3,(H2,13,17)(H,14,18)(H,15,16)/b7-5-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.91E+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 (ARTD8 or PARP14)


(Homo sapiens (Human))
BDBM50079613
PNG
(CHEMBL3414763)
Show SMILES C\C(=C\C(O)=O)C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H12N2O4/c1-7(5-10(15)16)12(18)14-9-4-2-3-8(6-9)11(13)17/h2-6H,1H3,(H2,13,17)(H,14,18)(H,15,16)/b7-5-
PDB

UniProtKB/SwissProt

antibodypedia
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)

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


(Homo sapiens (Human))
BDBM50079613
PNG
(CHEMBL3414763)
Show SMILES C\C(=C\C(O)=O)C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H12N2O4/c1-7(5-10(15)16)12(18)14-9-4-2-3-8(6-9)11(13)17/h2-6H,1H3,(H2,13,17)(H,14,18)(H,15,16)/b7-5-
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)

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


(Homo sapiens (Human))
BDBM50079613
PNG
(CHEMBL3414763)
Show SMILES C\C(=C\C(O)=O)C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H12N2O4/c1-7(5-10(15)16)12(18)14-9-4-2-3-8(6-9)11(13)17/h2-6H,1H3,(H2,13,17)(H,14,18)(H,15,16)/b7-5-
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 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
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50079613
PNG
(CHEMBL3414763)
Show SMILES C\C(=C\C(O)=O)C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H12N2O4/c1-7(5-10(15)16)12(18)14-9-4-2-3-8(6-9)11(13)17/h2-6H,1H3,(H2,13,17)(H,14,18)(H,15,16)/b7-5-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.90E+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