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SMILES: Nc1nn2cc3CN(CCc3nc2c1C(=O)Nc1cncnc1C1CC1)C1COC1

InChI Key: InChIKey=QJIDNIPKKDAVCW-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 329686   
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))		BDBM329686
PNG
(US9663519, Compound I-26)
Show SMILES Nc1nn2cc3CN(CCc3nc2c1C(=O)Nc1cncnc1C1CC1)C1COC1
Show InChI InChI=1S/C20H22N8O2/c21-18-16(20(29)25-15-5-22-10-23-17(15)11-1-2-11)19-24-14-3-4-27(13-8-30-9-13)6-12(14)7-28(19)26-18/h5,7,10-11,13H,1-4,6,8-9H2,(H2,21,26)(H,25,29)
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US Patent
 3.00E+3n/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