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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase' and Ligand = 'BDBM315721'   
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


(Homo sapiens (Human))
BDBM315721
PNG
(US10172859, Example 142 | US9732094, Example 142 |...)
Show SMILES OCc1csc(n1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1/C23H20ClFN4O3S/c24-18-9-19(25)17(8-16(18)22(31)23-28-13(10-30)11-33-23)21-15-2-1-14(7-20(15)26-12-27-21)29-3-5-32-6-4-29/h1-2,7-9,11-12,22,30-31H,3-6,10H2
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre flashplates. To this end, 1.5 ug of DNA-PK/protein complex and 100 ng of ...


US Patent US9732094 (2017)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315721
PNG
(US10172859, Example 142 | US9732094, Example 142 |...)
Show SMILES OCc1csc(n1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1/C23H20ClFN4O3S/c24-18-9-19(25)17(8-16(18)22(31)23-28-13(10-30)11-33-23)21-15-2-1-14(7-20(15)26-12-27-21)29-3-5-32-6-4-29/h1-2,7-9,11-12,22,30-31H,3-6,10H2
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre flashplates. To this end, 1.5 μg of DNA-PK/protein complex and 100 n...


US Patent US10172859 (2019)


Article DOI: 10.1016/j.bmc.2008.10.070
BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair