BindingDB logo
myBDB logout

null

SMILES: CNCc1ccc(-c2cc(on2)-c2nc(cnc2N)-c2ccc(cc2)S(=O)(=O)C2CCOC2)c(F)c1

InChI Key: InChIKey=AAXMEODDVPGFNZ-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 420862   
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))		BDBM420862
PNG
(3-[3-[2-fluoro-4-(methylaminomethyl)phenyl]isoxazo...)
Show SMILES CNCc1ccc(-c2cc(on2)-c2nc(cnc2N)-c2ccc(cc2)S(=O)(=O)C2CCOC2)c(F)c1
Show InChI InChI=1S/C25H24FN5O4S/c1-28-12-15-2-7-19(20(26)10-15)21-11-23(35-31-21)24-25(27)29-13-22(30-24)16-3-5-17(6-4-16)36(32,33)18-8-9-34-14-18/h2-7,10-11,13,18,28H,8-9,12,14H2,1H3,(H2,27,29)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
<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