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SMILES: CC(C)S(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=N)OC(=N)c1ccc(CNCCF)cc1F

InChI Key: InChIKey=JLWISSNJHHQQMX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 420838   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM420838
PNG
(US10479784, Compound IA-340)
Show SMILES CC(C)S(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=N)OC(=N)c1ccc(CNCCF)cc1F
Show InChI InChI=1S/C24H26F2N6O2S/c1-14(2)35(33)17-6-4-16(5-7-17)20-13-31-22(27)21(32-20)24(29)34-23(28)18-8-3-15(11-19(18)26)12-30-10-9-25/h3-8,11,13-14,28-30H,9-10,12H2,1-2H3,(H2,27,31)
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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 US10479784 (2019)


BindingDB Entry DOI: 10.7270/Q2GF0WVD
More data for this
Ligand-Target Pair