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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 = 'BDBM245531'   
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))
BDBM245531
PNG
(US9428503, 59)
Show SMILES Cn1c2cnc3ccc(cc3c2n([C@@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCC2)nc1 |r|
Show InChI InChI=1S/C28H33N5O3/c1-31-25-18-29-24-9-7-20(16-23(24)27(25)33(28(31)34)22-6-4-14-35-19-22)21-8-10-26(30-17-21)36-15-5-13-32-11-2-3-12-32/h7-10,16-18,22H,2-6,11-15,19H2,1H3/t22-/m1/s1
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US Patent
n/an/a>1.91E+4n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay b) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 6000 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair