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SMILES: Cc1cc(ccc1-c1cnc(N)c(n1)C(=N)OC(=N)c1ccccc1)C(=O)N1CCCN(CC1)C(=O)OC(C)(C)C

InChI Key: InChIKey=NDWZENATFLRDJR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 420504   
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))		BDBM420504
PNG
(US10479784, Compound IA-19)
Show SMILES Cc1cc(ccc1-c1cnc(N)c(n1)C(=N)OC(=N)c1ccccc1)C(=O)N1CCCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C30H35N7O4/c1-19-17-21(28(38)36-13-8-14-37(16-15-36)29(39)41-30(2,3)4)11-12-22(19)23-18-34-25(31)24(35-23)27(33)40-26(32)20-9-6-5-7-10-20/h5-7,9-12,17-18,32-33H,8,13-16H2,1-4H3,(H2,31,34)
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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