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Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM50341758'   
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))		BDBM50341758
PNG
(3-(1H-indol-2-yl)-5-(4-(methylsulfonyl)phenyl)pyra...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C19H16N4O2S/c1-26(24,25)14-8-6-12(7-9-14)17-11-21-19(20)18(23-17)16-10-13-4-2-3-5-15(13)22-16/h2-11,22H,1H3,(H2,20,21)
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n/an/a 23n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay

J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair