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BDBM50144951 CHEMBL3764626

SMILES: COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)C(F)(F)F

InChI Key: InChIKey=BZGLWWUEKRFOAK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50144951   
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
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144951
PNG
(CHEMBL3764626)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)C(F)(F)F
Show InChI InChI=1S/C21H19F3N8O3/c1-34-15-10-14-12(9-16(15)35-8-4-7-27-19(33)21(22,23)24)18(29-11-28-14)32-20(25)30-17(31-32)13-5-2-3-6-26-13/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,27,33)(H2,25,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.90E+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