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Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM50536004'   
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/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM50536004
PNG
(CHEMBL4591401)
Show SMILES C[C@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccn(C)n1 |r|
Show InChI InChI=1S/C21H20N6O/c1-13(18-7-9-27(2)26-18)25-20-16-10-14(15-4-3-8-23-11-15)5-6-19(16)24-12-17(20)21(22)28/h3-13H,1-2H3,(H2,22,28)(H,24,25)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR in human HT-29 cells assessed as reduction in Chk1 phosphorylation at Ser-345 residue after 60 mins in presence of 4-nitroquinoline...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair