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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase catalytic subunit' and Ligand = 'BDBM251633'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM251633
PNG
(US9453031, 70)
Show SMILES CC(C)(c1nc(nc2N3CCOC[C@H]3COc12)[N]1=C(N)Nc2ccccc12)S(C)(=O)=O |r,c:20|
Show InChI InChI=1S/C20H25N6O4S/c1-20(2,31(3,27)28)16-15-17(25-8-9-29-10-12(25)11-30-15)24-19(23-16)26-14-7-5-4-6-13(14)22-18(26)21/h4-7,12,22H,8-11,21H2,1-3H3/t12-/m0/s1
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 741n/an/an/an/a7.537



Fundación Centro Nacional de Investigaciones Oncológicas Carlos III

US Patent


Assay Description
The kinase activity was measured by using the commercial ADP Hunter Plus assay available from DiscoveRx (#90-0083), which is a homogeneous assay to m...


US Patent US9453031 (2016)


BindingDB Entry DOI: 10.7270/Q27H1HH8
More data for this
Ligand-Target Pair