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SMILES: CC(C)S(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=N)OC(=N)c1ccc(CNCCO)cc1

InChI Key: InChIKey=OZOUWZQKMVHVGK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 420674   
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))		BDBM420674
PNG
(US10479784, Compound IA-178)
Show SMILES CC(C)S(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=N)OC(=N)c1ccc(CNCCO)cc1
Show InChI InChI=1S/C24H28N6O3S/c1-15(2)34(32)19-9-7-17(8-10-19)20-14-29-22(25)21(30-20)24(27)33-23(26)18-5-3-16(4-6-18)13-28-11-12-31/h3-10,14-15,26-28,31H,11-13H2,1-2H3,(H2,25,29)
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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