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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine-protein kinase ATM' and Ligand = 'BDBM50144962'   
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
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144962
PNG
(CHEMBL3763327)
Show SMILES CCN(CC)C(=O)COc1cc2c(ncnc2cc1OC)-n1nc(nc1N)-c1ccccn1
Show InChI InChI=1S/C22H24N8O3/c1-4-29(5-2)19(31)12-33-18-10-14-16(11-17(18)32-3)25-13-26-21(14)30-22(23)27-20(28-30)15-8-6-7-9-24-15/h6-11,13H,4-5,12H2,1-3H3,(H2,23,27,28)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair