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SMILES: CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(c1)-c1ccccc1

InChI Key: InChIKey=CEICSVMNCZQOHL-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 = 323386   
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))		BDBM323386
PNG
(3-[4-(methylaminomethyl)phenyl]isoxazol-5-yl]pyraz...)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(c1)-c1ccccc1
Show InChI InChI=1S/C26H22N6O2/c1-28-13-16-7-9-18(10-8-16)21-12-23(34-32-21)24-25(27)29-15-22(31-24)19-11-20(26(33)30-14-19)17-5-3-2-4-6-17/h2-12,14-15,28H,13H2,1H3,(H2,27,29)(H,30,33)
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US Patent
<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