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SMILES: Nc1ncc(nc1-c1nnc(o1)-c1cccs1)-c1ccc(cc1C#N)C(=O)N1CCCNCC1

InChI Key: InChIKey=NBJWSNPFNTTZCV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 420648   
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))		BDBM420648
PNG
(2-(5-amino-6-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-...)
Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1cccs1)-c1ccc(cc1C#N)C(=O)N1CCCNCC1
Show InChI InChI=1S/C23H20N8O2S/c24-12-15-11-14(23(32)31-8-2-6-26-7-9-31)4-5-16(15)17-13-27-20(25)19(28-17)22-30-29-21(33-22)18-3-1-10-34-18/h1,3-5,10-11,13,26H,2,6-9H2,(H2,25,27)
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<10n/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 US10479784 (2019)


BindingDB Entry DOI: 10.7270/Q2GF0WVD
More data for this
Ligand-Target Pair