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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50535974   
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-protein kinase ATM


(Homo sapiens (Human))
BDBM50535974
PNG
(CHEMBL4563993)
Show SMILES COCc1ccc(c(F)n1)-c1cc2c(N[C@@H](C)c3ccn(C)n3)c(cnc2cc1F)C(N)=O |r|
Show InChI InChI=1S/C23H22F2N6O2/c1-12(19-6-7-31(2)30-19)28-21-16-8-15(14-5-4-13(11-33-3)29-22(14)25)18(24)9-20(16)27-10-17(21)23(26)32/h4-10,12H,11H2,1-3H3,(H2,26,32)(H,27,28)/t12-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...


J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50535974
PNG
(CHEMBL4563993)
Show SMILES COCc1ccc(c(F)n1)-c1cc2c(N[C@@H](C)c3ccn(C)n3)c(cnc2cc1F)C(N)=O |r|
Show InChI InChI=1S/C23H22F2N6O2/c1-12(19-6-7-31(2)30-19)28-21-16-8-15(14-5-4-13(11-33-3)29-22(14)25)18(24)9-20(16)27-10-17(21)23(26)32/h4-10,12H,11H2,1-3H3,(H2,26,32)(H,27,28)/t12-/m0/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50535974
PNG
(CHEMBL4563993)
Show SMILES COCc1ccc(c(F)n1)-c1cc2c(N[C@@H](C)c3ccn(C)n3)c(cnc2cc1F)C(N)=O |r|
Show InChI InChI=1S/C23H22F2N6O2/c1-12(19-6-7-31(2)30-19)28-21-16-8-15(14-5-4-13(11-33-3)29-22(14)25)18(24)9-20(16)27-10-17(21)23(26)32/h4-10,12H,11H2,1-3H3,(H2,26,32)(H,27,28)/t12-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR in human HT-29 cells assessed as reduction in Chk1 phosphorylation at Ser-345 residue after 60 mins in presence of 4-nitroquinoline...


J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair