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SMILES: CC1=C(C)C(=O)N(C1=O)c1cccc(c1)C(N)=O

InChI Key: InChIKey=DWVKVUXOQWIDLK-UHFFFAOYSA-N

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 7 hits for monomerid = 50079626   
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
Protein mono-ADP-ribosyltransferase PARP15


(Homo sapiens (Human))
BDBM50079626
PNG
(CHEMBL3414769)
Show SMILES CC1=C(C)C(=O)N(C1=O)c1cccc(c1)C(N)=O |c:1|
Show InChI InChI=1S/C13H12N2O3/c1-7-8(2)13(18)15(12(7)17)10-5-3-4-9(6-10)11(14)16/h3-6H,1-2H3,(H2,14,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079626
PNG
(CHEMBL3414769)
Show SMILES CC1=C(C)C(=O)N(C1=O)c1cccc(c1)C(N)=O |c:1|
Show InChI InChI=1S/C13H12N2O3/c1-7-8(2)13(18)15(12(7)17)10-5-3-4-9(6-10)11(14)16/h3-6H,1-2H3,(H2,14,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.05E+4n/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))
BDBM50079626
PNG
(CHEMBL3414769)
Show SMILES CC1=C(C)C(=O)N(C1=O)c1cccc(c1)C(N)=O |c:1|
Show InChI InChI=1S/C13H12N2O3/c1-7-8(2)13(18)15(12(7)17)10-5-3-4-9(6-10)11(14)16/h3-6H,1-2H3,(H2,14,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.05E+4n/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
Protein mono-ADP-ribosyltransferase PARP15


(Homo sapiens (Human))
BDBM50079626
PNG
(CHEMBL3414769)
Show SMILES CC1=C(C)C(=O)N(C1=O)c1cccc(c1)C(N)=O |c:1|
Show InChI InChI=1S/C13H12N2O3/c1-7-8(2)13(18)15(12(7)17)10-5-3-4-9(6-10)11(14)16/h3-6H,1-2H3,(H2,14,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+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
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50079626
PNG
(CHEMBL3414769)
Show SMILES CC1=C(C)C(=O)N(C1=O)c1cccc(c1)C(N)=O |c:1|
Show InChI InChI=1S/C13H12N2O3/c1-7-8(2)13(18)15(12(7)17)10-5-3-4-9(6-10)11(14)16/h3-6H,1-2H3,(H2,14,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+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
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM50079626
PNG
(CHEMBL3414769)
Show SMILES CC1=C(C)C(=O)N(C1=O)c1cccc(c1)C(N)=O |c:1|
Show InChI InChI=1S/C13H12N2O3/c1-7-8(2)13(18)15(12(7)17)10-5-3-4-9(6-10)11(14)16/h3-6H,1-2H3,(H2,14,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
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
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50079626
PNG
(CHEMBL3414769)
Show SMILES CC1=C(C)C(=O)N(C1=O)c1cccc(c1)C(N)=O |c:1|
Show InChI InChI=1S/C13H12N2O3/c1-7-8(2)13(18)15(12(7)17)10-5-3-4-9(6-10)11(14)16/h3-6H,1-2H3,(H2,14,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+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