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SMILES: CCC(CC)c1cc(c[nH]c1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1F

InChI Key: InChIKey=OQTMESMAMWSHPR-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 323395   
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))		BDBM323395
PNG
(US9630956, Compound I-132)
Show SMILES CCC(CC)c1cc(c[nH]c1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1F
Show InChI InChI=1S/C25H27FN6O2/c1-4-15(5-2)18-9-16(12-30-25(18)33)21-13-29-24(27)23(31-21)22-10-20(32-34-22)17-7-6-14(11-28-3)8-19(17)26/h6-10,12-13,15,28H,4-5,11H2,1-3H3,(H2,27,29)(H,30,33)
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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