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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM323352'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM323352
PNG
(US9630956, Compound I-89)
Show SMILES CCc1cc(c[nH]c1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1
Show InChI InChI=1S/C22H22N6O2/c1-3-14-8-16(11-26-22(14)29)18-12-25-21(23)20(27-18)19-9-17(28-30-19)15-6-4-13(5-7-15)10-24-2/h4-9,11-12,24H,3,10H2,1-2H3,(H2,23,25)(H,26,29)
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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