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PubMed code 17562705

Compile data set for download or QSAR
Found 6 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
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50270042
PNG
((2-hydroxy-4-morpholinophenyl)(phenyl)methanone | ...)
Show SMILES Oc1cc(ccc1C(=O)c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C17H17NO3/c19-16-12-14(18-8-10-21-11-9-18)6-7-15(16)17(20)13-4-2-1-3-5-13/h1-7,12,19H,8-11H2
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Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK


J Biol Chem 282: 24463-70 (2007)


Article DOI: 10.1074/jbc.M704741200
BindingDB Entry DOI: 10.7270/Q2VH5NMC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50159620
PNG
(2-Morpholin-4-yl-pyrimido[2,1-a]isoquinolin-4-one ...)
Show SMILES O=c1cc(nc2c3ccccc3ccn12)N1CCOCC1
Show InChI InChI=1S/C16H15N3O2/c20-15-11-14(18-7-9-21-10-8-18)17-16-13-4-2-1-3-12(13)5-6-19(15)16/h1-6,11H,7-10H2
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Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK


J Biol Chem 282: 24463-70 (2007)


Article DOI: 10.1074/jbc.M704741200
BindingDB Entry DOI: 10.7270/Q2VH5NMC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Biol Chem 282: 24463-70 (2007)


Article DOI: 10.1074/jbc.M704741200
BindingDB Entry DOI: 10.7270/Q2VH5NMC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50159620
PNG
(2-Morpholin-4-yl-pyrimido[2,1-a]isoquinolin-4-one ...)
Show SMILES O=c1cc(nc2c3ccccc3ccn12)N1CCOCC1
Show InChI InChI=1S/C16H15N3O2/c20-15-11-14(18-7-9-21-10-8-18)17-16-13-4-2-1-3-12(13)5-6-19(15)16/h1-6,11H,7-10H2
PDB
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Article
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Biol Chem 282: 24463-70 (2007)


Article DOI: 10.1074/jbc.M704741200
BindingDB Entry DOI: 10.7270/Q2VH5NMC
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50159620
PNG
(2-Morpholin-4-yl-pyrimido[2,1-a]isoquinolin-4-one ...)
Show SMILES O=c1cc(nc2c3ccccc3ccn12)N1CCOCC1
Show InChI InChI=1S/C16H15N3O2/c20-15-11-14(18-7-9-21-10-8-18)17-16-13-4-2-1-3-12(13)5-6-19(15)16/h1-6,11H,7-10H2
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antibodypedia
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CHEMBL
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of p110alpha/p85-alpha PI3K


J Biol Chem 282: 24463-70 (2007)


Article DOI: 10.1074/jbc.M704741200
BindingDB Entry DOI: 10.7270/Q2VH5NMC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50270042
PNG
((2-hydroxy-4-morpholinophenyl)(phenyl)methanone | ...)
Show SMILES Oc1cc(ccc1C(=O)c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C17H17NO3/c19-16-12-14(18-8-10-21-11-9-18)6-7-15(16)17(20)13-4-2-1-3-5-13/h1-7,12,19H,8-11H2
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Biol Chem 282: 24463-70 (2007)


Article DOI: 10.1074/jbc.M704741200
BindingDB Entry DOI: 10.7270/Q2VH5NMC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%