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BDBM27507 3-Pyridinecarboxamide::CHEMBL1140::NAM::niacinamide::nicotinamide::pyridine-3-carboxamide

SMILES: NC(=O)c1cccnc1

InChI Key: InChIKey=DFPAKSUCGFBDDF-UHFFFAOYSA-N

Data: 1 KI  52 IC50

PDB links: 55 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 53 hits for monomerid = 27507   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
PDB
MMDB

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KEGG

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CHEBI
CHEMBL
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KEGG
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PC sid
PDB
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Similars

PDB
Article
PubMed
n/an/a 7.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged/SUMO-fused SIRT2 (38 to 356 residues) expressed in Escherichia coli BL21 assessed as reduction...


J Med Chem 62: 4131-4141 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00191
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
PDB
MMDB

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CHEBI
CHEMBL
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PC sid
PDB
UniChem

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Article
PubMed
n/an/a 5.01E+4n/an/an/an/a7.822



University of Konstanz



Assay Description
The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...


Mol Pharmacol 74: 1587-98 (2008)


Article DOI: 10.1124/mol.108.048751
BindingDB Entry DOI: 10.7270/Q2M61HKG
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

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CHEBI
CHEMBL
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PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.09E+5n/an/an/an/a7.822



University of Konstanz



Assay Description
The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...


Mol Pharmacol 74: 1587-98 (2008)


Article DOI: 10.1124/mol.108.048751
BindingDB Entry DOI: 10.7270/Q2M61HKG
More data for this
Ligand-Target Pair
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