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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM50536001'   
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))		BDBM50536001
PNG
(CHEMBL4576302)
Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(CS(C)(=O)=O)nc1)C(N)=O
Show InChI InChI=1S/C23H28N4O3S/c1-4-15(5-2)11-27-22-19-10-16(7-9-21(19)26-13-20(22)23(24)28)17-6-8-18(25-12-17)14-31(3,29)30/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H2,24,28)(H,26,27)
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Article
PubMed
n/an/a>3.00E+4n/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