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Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM50535984'   
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))		BDBM50535984
PNG
(CHEMBL4569880)
Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccncc1)C(N)=O
Show InChI InChI=1S/C21H24N4O/c1-3-14(4-2)12-25-20-17-11-16(15-7-9-23-10-8-15)5-6-19(17)24-13-18(20)21(22)26/h5-11,13-14H,3-4,12H2,1-2H3,(H2,22,26)(H,24,25)
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PC cid
PC sid
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Article
PubMed
n/an/a 730n/an/an/an/an/an/a



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