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SMILES: CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C1CC1

InChI Key: InChIKey=NRRZPHHGLASRQL-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 323342   
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))		BDBM323342
PNG
(US9630956, Compound I-79)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C1CC1
Show InChI InChI=1S/C25H26N6O2/c1-15(17-7-8-17)31-14-19(9-10-23(31)32)21-13-28-25(26)24(29-21)22-11-20(30-33-22)18-5-3-16(4-6-18)12-27-2/h3-6,9-11,13-15,17,27H,7-8,12H2,1-2H3,(H2,26,28)
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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