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SMILES: COc1ccncc1NC(=O)c1c(N)nn2cc3CN(C)CCc3nc12

InChI Key: InChIKey=VXABPLNTEHFYNU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 329673   
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))		BDBM329673
PNG
(US9663519, Compound I-13)
Show SMILES COc1ccncc1NC(=O)c1c(N)nn2cc3CN(C)CCc3nc12
Show InChI InChI=1S/C17H19N7O2/c1-23-6-4-11-10(8-23)9-24-16(20-11)14(15(18)22-24)17(25)21-12-7-19-5-3-13(12)26-2/h3,5,7,9H,4,6,8H2,1-2H3,(H2,18,22)(H,21,25)
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US Patent
 505n/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 US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair