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SMILES: CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C#N)c(C)c1

InChI Key: InChIKey=BYUTZONDJKGDPI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 323279   
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))		BDBM323279
PNG
(US9630956, Compound I-16)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C#N)c(C)c1
Show InChI InChI=1S/C23H22N8O2/c1-13-8-15(10-26-3)4-6-17(13)22-29-30-23(33-22)20-21(25)27-11-18(28-20)16-5-7-19(32)31(12-16)14(2)9-24/h4-8,11-12,14,26H,10H2,1-3H3,(H2,25,27)
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<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