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Patent code US8841450

Compile Data Set for Download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))
BDBM50437436
PNG
(CHEMBL2409216 | US8841450, I-1)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C1CC(=NO1)c1ccccc1 |c:23|
Show InChI InChI=1S/C22H22N4O3S/c1-14(2)30(27,28)17-10-8-16(9-11-17)19-13-24-22(23)21(25-19)20-12-18(26-29-20)15-6-4-3-5-7-15/h3-11,13-14,20H,12H2,1-2H3,(H2,23,24)
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Similars

US Patent
16n/an/an/an/an/an/a7.5n/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 US8841450 (2014)


BindingDB Entry DOI: 10.7270/Q2NS0SKK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50437437
PNG
(CHEMBL2409217 | US8841450, I-2)
Show SMILES CNCc1ccc(cc1)C1=NOC(C1)c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C |t:10|
Show InChI InChI=1S/C24H27N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-11,14-15,22,26H,12-13H2,1-3H3,(H2,25,27)
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US Patent
90n/an/an/an/an/an/a7.5n/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 US8841450 (2014)


BindingDB Entry DOI: 10.7270/Q2NS0SKK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%