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2 similar compounds to monomer 50079617

Compile data set for download or QSAR
Wt: 248.2
BDBM50079618
Wt: 234.2
BDBM50079619

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50079618,50079619   
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 (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50079618
PNG
(CHEMBL3414777)
Show SMILES CC(=O)CCCC(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C13H16N2O3/c1-9(16)4-2-7-12(17)15-11-6-3-5-10(8-11)13(14)18/h3,5-6,8H,2,4,7H2,1H3,(H2,14,18)(H,15,17)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.45E+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))
BDBM50079619
PNG
(CHEMBL3414776)
Show SMILES CC(=O)CCC(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H14N2O3/c1-8(15)5-6-11(16)14-10-4-2-3-9(7-10)12(13)17/h2-4,7H,5-6H2,1H3,(H2,13,17)(H,14,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.12E+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))
BDBM50079618
PNG
(CHEMBL3414777)
Show SMILES CC(=O)CCCC(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C13H16N2O3/c1-9(16)4-2-7-12(17)15-11-6-3-5-10(8-11)13(14)18/h3,5-6,8H,2,4,7H2,1H3,(H2,14,18)(H,15,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.07E+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))
BDBM50079619
PNG
(CHEMBL3414776)
Show SMILES CC(=O)CCC(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H14N2O3/c1-8(15)5-6-11(16)14-10-4-2-3-9(7-10)12(13)17/h2-4,7H,5-6H2,1H3,(H2,13,17)(H,14,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+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 (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50079619
PNG
(CHEMBL3414776)
Show SMILES CC(=O)CCC(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H14N2O3/c1-8(15)5-6-11(16)14-10-4-2-3-9(7-10)12(13)17/h2-4,7H,5-6H2,1H3,(H2,13,17)(H,14,16)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.91E+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 (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50079618
PNG
(CHEMBL3414777)
Show SMILES CC(=O)CCCC(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C13H16N2O3/c1-9(16)4-2-7-12(17)15-11-6-3-5-10(8-11)13(14)18/h3,5-6,8H,2,4,7H2,1H3,(H2,14,18)(H,15,17)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.46E+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))
BDBM50079619
PNG
(CHEMBL3414776)
Show SMILES CC(=O)CCC(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H14N2O3/c1-8(15)5-6-11(16)14-10-4-2-3-9(7-10)12(13)17/h2-4,7H,5-6H2,1H3,(H2,13,17)(H,14,16)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+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))
BDBM50079619
PNG
(CHEMBL3414776)
Show SMILES CC(=O)CCC(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H14N2O3/c1-8(15)5-6-11(16)14-10-4-2-3-9(7-10)12(13)17/h2-4,7H,5-6H2,1H3,(H2,13,17)(H,14,16)
PDB

UniProtKB/SwissProt

GoogleScholar
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 (ARTD7 or PARP15)


(Homo sapiens (Human))
BDBM50079619
PNG
(CHEMBL3414776)
Show SMILES CC(=O)CCC(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H14N2O3/c1-8(15)5-6-11(16)14-10-4-2-3-9(7-10)12(13)17/h2-4,7H,5-6H2,1H3,(H2,13,17)(H,14,16)
PDB

UniProtKB/SwissProt

GoogleScholar
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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079618
PNG
(CHEMBL3414777)
Show SMILES CC(=O)CCCC(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C13H16N2O3/c1-9(16)4-2-7-12(17)15-11-6-3-5-10(8-11)13(14)18/h3,5-6,8H,2,4,7H2,1H3,(H2,14,18)(H,15,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+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