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SMILES: CNCc1ccc(-c2cc(on2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C2CCCC2)c(F)c1

InChI Key: InChIKey=IFMILPVWEIZTSB-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 323319   
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))		BDBM323319
PNG
(US9630956, Compound I-56)
Show SMILES CNCc1ccc(-c2cc(on2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C2CCCC2)c(F)c1
Show InChI InChI=1S/C25H25FN6O2/c1-28-12-15-6-8-18(19(26)10-15)20-11-22(34-31-20)24-25(27)29-13-21(30-24)16-7-9-23(33)32(14-16)17-4-2-3-5-17/h6-11,13-14,17,28H,2-5,12H2,1H3,(H2,27,29)
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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