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2 similar compounds to monomer 15296

Compile data set for download or QSAR
Wt: 210.2
BDBM97078
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Wt: 228.2
BDBM50105672

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 97078,50105672   
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
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50105672
PNG
(CHEMBL329643 | Trifluoro-acetate5-cyano-2-hydroxym...)
Show SMILES OCc1[nH]c(=O)c(cc1-c1cc[nH+]cc1)C#N
Show InChI InChI=1S/C12H9N3O2/c13-6-9-5-10(8-1-3-14-4-2-8)11(7-16)15-12(9)17/h1-5,16H,7H2,(H,15,17)/p+1
PDB

KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of DNA-dependent protein kinase (DNA-PK) of HeLa cell nuclear cell extract


Bioorg Med Chem Lett 11: 2837-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00537-6
BindingDB Entry DOI: 10.7270/Q2X63M7S
More data for this
Ligand-Target Pair
Galanin receptor 3


(Homo sapiens (Human))
BDBM97078
PNG
(2-keto-6-methyl-5-phenyl-1H-pyridine-3-carbonitril...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccccc1)C#N
Show InChI InChI=1S/C13H10N2O/c1-9-12(10-5-3-2-4-6-10)7-11(8-14)13(16)15-9/h2-7H,1H3,(H,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.68E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair