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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'fernandes' and Initial = 'ac'   
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
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50175215
PNG
(6-(2-(dimethylamino)ethylamino)-2-ethylbenzo[d]oxa...)
Show SMILES CCc1nc2c(O)cc(N=CCN(C)C)c(O)c2o1 |w:9.8|
Show InChI InChI=1S/C13H17N3O3/c1-4-10-15-11-9(17)7-8(12(18)13(11)19-10)14-5-6-16(2)3/h5,7,17-18H,4,6H2,1-3H3
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n/an/a 130n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant CDC25C


Bioorg Med Chem Lett 16: 171-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.030
BindingDB Entry DOI: 10.7270/Q2T1535S
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50175216
PNG
(5-(2-(dimethylamino)ethylamino)-2-ethylbenzo[d]oxa...)
Show SMILES CCc1nc2c(O)c(cc(O)c2o1)N=CCN(C)C |w:13.14|
Show InChI InChI=1S/C13H17N3O3/c1-4-10-15-11-12(18)8(14-5-6-16(2)3)7-9(17)13(11)19-10/h5,7,17-18H,4,6H2,1-3H3
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n/an/a 130n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant CDC25C


Bioorg Med Chem Lett 16: 171-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.030
BindingDB Entry DOI: 10.7270/Q2T1535S
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50175218
PNG
(5-(2-(dimethylamino)ethylamino)-2-methylbenzo[d]th...)
Show SMILES CN(C)CC=Nc1cc(O)c2sc(C)nc2c1O |w:5.5|
Show InChI InChI=1S/C12H15N3O2S/c1-7-14-10-11(17)8(13-4-5-15(2)3)6-9(16)12(10)18-7/h4,6,16-17H,5H2,1-3H3
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n/an/a 150n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant CDC25C


Bioorg Med Chem Lett 16: 171-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.030
BindingDB Entry DOI: 10.7270/Q2T1535S
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50175219
PNG
(6-(2-(dimethylamino)ethylamino)-2-phenylbenzo[d]ox...)
Show SMILES CN(C)CC=Nc1cc(O)c2nc(oc2c1O)-c1ccccc1 |w:5.5|
Show InChI InChI=1S/C17H17N3O3/c1-20(2)9-8-18-12-10-13(21)14-16(15(12)22)23-17(19-14)11-6-4-3-5-7-11/h3-8,10,21-22H,9H2,1-2H3
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n/an/a 230n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant CDC25C


Bioorg Med Chem Lett 16: 171-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.030
BindingDB Entry DOI: 10.7270/Q2T1535S
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50175217
PNG
(5-(2-(dimethylamino)ethylamino)-2-phenylbenzo[d]ox...)
Show SMILES CN(C)CC=Nc1cc(O)c2oc(nc2c1O)-c1ccccc1 |w:5.5|
Show InChI InChI=1S/C17H17N3O3/c1-20(2)9-8-18-12-10-13(21)16-14(15(12)22)19-17(23-16)11-6-4-3-5-7-11/h3-8,10,21-22H,9H2,1-2H3
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n/an/a 230n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant CDC25C


Bioorg Med Chem Lett 16: 171-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.030
BindingDB Entry DOI: 10.7270/Q2T1535S
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50106497
PNG
(6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...)
Show SMILES Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12 |w:6.6|
Show InChI InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-4,20-21H,5-9H2
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n/an/a 250n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant CDC25C


Bioorg Med Chem Lett 16: 171-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.030
BindingDB Entry DOI: 10.7270/Q2T1535S
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50175222
PNG
(6-(2-(dimethylamino)ethylamino)-2-phenyl-2H-indazo...)
Show SMILES CN(C)CC=Nc1cc(O)c2cn(nc2c1O)-c1ccccc1 |w:5.5|
Show InChI InChI=1S/C17H18N4O2/c1-20(2)9-8-18-14-10-15(22)13-11-21(19-16(13)17(14)23)12-6-4-3-5-7-12/h3-8,10-11,22-23H,9H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant CDC25C


Bioorg Med Chem Lett 16: 171-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.030
BindingDB Entry DOI: 10.7270/Q2T1535S
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50175223
PNG
(5-(2-(dimethylamino)ethylamino)-2-phenyl-2H-indazo...)
Show SMILES CN(C)CC=Nc1cc(O)c2nn(cc2c1O)-c1ccccc1 |w:5.5|
Show InChI InChI=1S/C17H18N4O2/c1-20(2)9-8-18-14-10-15(22)16-13(17(14)23)11-21(19-16)12-6-4-3-5-7-12/h3-8,10-11,22-23H,9H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant CDC25C


Bioorg Med Chem Lett 16: 171-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.030
BindingDB Entry DOI: 10.7270/Q2T1535S
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50175220
PNG
(5-(2-(dimethylamino)ethylamino)-2-ethyl-1H-benzo[d...)
Show SMILES CCc1nc2c(O)cc(N=CCN(C)C)c(O)c2[nH]1 |w:9.8|
Show InChI InChI=1S/C13H18N4O2/c1-4-10-15-11-9(18)7-8(13(19)12(11)16-10)14-5-6-17(2)3/h5,7,18-19H,4,6H2,1-3H3,(H,15,16)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant CDC25C


Bioorg Med Chem Lett 16: 171-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.030
BindingDB Entry DOI: 10.7270/Q2T1535S
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50175221
PNG
(5-(2-(dimethylamino)ethylamino)-2-phenyl-1H-benzo[...)
Show SMILES CN(C)CC=Nc1cc(O)c2nc([nH]c2c1O)-c1ccccc1 |w:5.5|
Show InChI InChI=1S/C17H18N4O2/c1-21(2)9-8-18-12-10-13(22)14-15(16(12)23)20-17(19-14)11-6-4-3-5-7-11/h3-8,10,22-23H,9H2,1-2H3,(H,19,20)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant CDC25C


Bioorg Med Chem Lett 16: 171-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.030
BindingDB Entry DOI: 10.7270/Q2T1535S
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM24778
PNG
(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Show SMILES CC1=CC(=O)c2ccccc2C1=O |t:1|
Show InChI InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant CDC25C


Bioorg Med Chem Lett 16: 171-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.030
BindingDB Entry DOI: 10.7270/Q2T1535S
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50175224
PNG
(5-(2-(dimethylamino)ethylamino)-2-methyl-2H-isoind...)
Show SMILES CN(C)CC=Nc1cc(O)c2cn(C)cc2c1O |w:5.5|
Show InChI InChI=1S/C13H17N3O2/c1-15(2)5-4-14-11-6-12(17)9-7-16(3)8-10(9)13(11)18/h4,6-8,17-18H,5H2,1-3H3
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n/an/a 8.10E+4n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant CDC25C


Bioorg Med Chem Lett 16: 171-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.030
BindingDB Entry DOI: 10.7270/Q2T1535S
More data for this
Ligand-Target Pair