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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 = 'BDBM323408'   
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))		BDBM323408
PNG
(US9630956, Compound I-145)
Show SMILES CC(C)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CCOC2)cc1
Show InChI InChI=1S/C27H27N7O3/c1-27(2,16-28)34-14-19(7-8-24(34)35)22-13-31-26(29)25(32-22)23-11-21(33-37-23)18-5-3-17(4-6-18)12-30-20-9-10-36-15-20/h3-8,11,13-14,20,30H,9-10,12,15H2,1-2H3,(H2,29,31)
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US Patent
<5n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair