BindingDB logo
myBDB logout

BDBM50079622 CHEMBL3414773

SMILES: NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCC2)c1

InChI Key: InChIKey=DDKHNAWVXVRNGN-SREVYHEPSA-N

Data: 7 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 7 hits for monomerid = 50079622   
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 (ARTD7 or PARP15)


(Homo sapiens (Human))
BDBM50079622
PNG
(CHEMBL3414773)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCC2)c1
Show InChI InChI=1S/C15H17N3O3/c16-15(21)11-4-3-5-12(10-11)17-13(19)6-7-14(20)18-8-1-2-9-18/h3-7,10H,1-2,8-9H2,(H2,16,21)(H,17,19)/b7-6-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+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
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50079622
PNG
(CHEMBL3414773)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCC2)c1
Show InChI InChI=1S/C15H17N3O3/c16-15(21)11-4-3-5-12(10-11)17-13(19)6-7-14(20)18-8-1-2-9-18/h3-7,10H,1-2,8-9H2,(H2,16,21)(H,17,19)/b7-6-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 589n/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
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50079622
PNG
(CHEMBL3414773)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCC2)c1
Show InChI InChI=1S/C15H17N3O3/c16-15(21)11-4-3-5-12(10-11)17-13(19)6-7-14(20)18-8-1-2-9-18/h3-7,10H,1-2,8-9H2,(H2,16,21)(H,17,19)/b7-6-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/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))
BDBM50079622
PNG
(CHEMBL3414773)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCC2)c1
Show InChI InChI=1S/C15H17N3O3/c16-15(21)11-4-3-5-12(10-11)17-13(19)6-7-14(20)18-8-1-2-9-18/h3-7,10H,1-2,8-9H2,(H2,16,21)(H,17,19)/b7-6-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.57E+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)

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


(Homo sapiens (Human))
BDBM50079622
PNG
(CHEMBL3414773)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCC2)c1
Show InChI InChI=1S/C15H17N3O3/c16-15(21)11-4-3-5-12(10-11)17-13(19)6-7-14(20)18-8-1-2-9-18/h3-7,10H,1-2,8-9H2,(H2,16,21)(H,17,19)/b7-6-
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))
BDBM50079622
PNG
(CHEMBL3414773)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCC2)c1
Show InChI InChI=1S/C15H17N3O3/c16-15(21)11-4-3-5-12(10-11)17-13(19)6-7-14(20)18-8-1-2-9-18/h3-7,10H,1-2,8-9H2,(H2,16,21)(H,17,19)/b7-6-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.69E+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))
BDBM50079622
PNG
(CHEMBL3414773)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCC2)c1
Show InChI InChI=1S/C15H17N3O3/c16-15(21)11-4-3-5-12(10-11)17-13(19)6-7-14(20)18-8-1-2-9-18/h3-7,10H,1-2,8-9H2,(H2,16,21)(H,17,19)/b7-6-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60E+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)

More data for this
Ligand-Target Pair