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Compile Data Set for Download or QSAR

Found 19 hits from Doshisha Women's College of Liberal Arts   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50261103
PNG
((Z)-2-(1-hexadecyl-2-oxoindolin-3-ylidene)acetic a...)
Show SMILES CCCCCCCCCCCCCCCCN1C(=O)\C(=C/C(O)=O)c2ccccc12
Show InChI InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-27-24-19-16-15-18-22(24)23(26(27)30)21-25(28)29/h15-16,18-19,21H,2-14,17,20H2,1H3,(H,28,29)/b23-21-
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n/an/a 1.60E+3n/an/an/an/an/an/a



Doshisha Women's College of Liberal Arts

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A phosphatase activity


Bioorg Med Chem Lett 18: 3350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.027
BindingDB Entry DOI: 10.7270/Q2P55N9B
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50261059
PNG
((Z)-2-(2-oxo-1-tetradecylindolin-3-ylidene)acetic ...)
Show SMILES CCCCCCCCCCCCCCN1C(=O)\C(=C/C(O)=O)c2ccccc12
Show InChI InChI=1S/C24H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-25-22-17-14-13-16-20(22)21(24(25)28)19-23(26)27/h13-14,16-17,19H,2-12,15,18H2,1H3,(H,26,27)/b21-19-
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n/an/a 1.70E+3n/an/an/an/an/an/a



Doshisha Women's College of Liberal Arts

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A phosphatase activity


Bioorg Med Chem Lett 18: 3350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.027
BindingDB Entry DOI: 10.7270/Q2P55N9B
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50261013
PNG
((E)-2-(1-hexadecyl-2-oxoindolin-3-ylidene)acetic a...)
Show SMILES CCCCCCCCCCCCCCCCN1C(=O)\C(=C\C(O)=O)c2ccccc12
Show InChI InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-27-24-19-16-15-18-22(24)23(26(27)30)21-25(28)29/h15-16,18-19,21H,2-14,17,20H2,1H3,(H,28,29)/b23-21+
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n/an/a 1.90E+3n/an/an/an/an/an/a



Doshisha Women's College of Liberal Arts

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A phosphatase activity


Bioorg Med Chem Lett 18: 3350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.027
BindingDB Entry DOI: 10.7270/Q2P55N9B
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50261012
PNG
((E)-2-(1-dodecyl-2-oxoindolin-3-ylidene)acetic aci...)
Show SMILES CCCCCCCCCCCCN1C(=O)\C(=C\C(O)=O)c2ccccc12
Show InChI InChI=1S/C22H31NO3/c1-2-3-4-5-6-7-8-9-10-13-16-23-20-15-12-11-14-18(20)19(22(23)26)17-21(24)25/h11-12,14-15,17H,2-10,13,16H2,1H3,(H,24,25)/b19-17+
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n/an/a 2.60E+3n/an/an/an/an/an/a



Doshisha Women's College of Liberal Arts

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A phosphatase activity


Bioorg Med Chem Lett 18: 3350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.027
BindingDB Entry DOI: 10.7270/Q2P55N9B
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50261058
PNG
((Z)-2-(1-dodecyl-2-oxoindolin-3-ylidene)acetic aci...)
Show SMILES CCCCCCCCCCCCN1C(=O)\C(=C/C(O)=O)c2ccccc12
Show InChI InChI=1S/C22H31NO3/c1-2-3-4-5-6-7-8-9-10-13-16-23-20-15-12-11-14-18(20)19(22(23)26)17-21(24)25/h11-12,14-15,17H,2-10,13,16H2,1H3,(H,24,25)/b19-17-
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n/an/a 2.90E+3n/an/an/an/an/an/a



Doshisha Women's College of Liberal Arts

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A phosphatase activity


Bioorg Med Chem Lett 18: 3350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.027
BindingDB Entry DOI: 10.7270/Q2P55N9B
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50261106
PNG
(2-(1-dodecyl-1H-indol-3-yl)acetic acid | CHEMBL521...)
Show SMILES CCCCCCCCCCCCn1cc(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H33NO2/c1-2-3-4-5-6-7-8-9-10-13-16-23-18-19(17-22(24)25)20-14-11-12-15-21(20)23/h11-12,14-15,18H,2-10,13,16-17H2,1H3,(H,24,25)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Doshisha Women's College of Liberal Arts

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A phosphatase activity


Bioorg Med Chem Lett 18: 3350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.027
BindingDB Entry DOI: 10.7270/Q2P55N9B
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50261057
PNG
((Z)-2-(1-decyl-2-oxoindolin-3-ylidene)acetic acid ...)
Show SMILES CCCCCCCCCCN1C(=O)\C(=C/C(O)=O)c2ccccc12
Show InChI InChI=1S/C20H27NO3/c1-2-3-4-5-6-7-8-11-14-21-18-13-10-9-12-16(18)17(20(21)24)15-19(22)23/h9-10,12-13,15H,2-8,11,14H2,1H3,(H,22,23)/b17-15-
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n/an/a 1.20E+4n/an/an/an/an/an/a



Doshisha Women's College of Liberal Arts

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A phosphatase activity


Bioorg Med Chem Lett 18: 3350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.027
BindingDB Entry DOI: 10.7270/Q2P55N9B
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50087141
PNG
((E)-2-((1R,7aR)-7a-methyl-1-((R)-6-methylheptan-2-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C(O)=O
Show InChI InChI=1S/C20H34O2/c1-14(2)7-5-8-15(3)17-10-11-18-16(13-19(21)22)9-6-12-20(17,18)4/h13-15,17-18H,5-12H2,1-4H3,(H,21,22)/b16-13+/t15-,17-,18?,20-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Doshisha Women's College of Liberal Arts

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A phosphatase activity


Bioorg Med Chem Lett 18: 3350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.027
BindingDB Entry DOI: 10.7270/Q2P55N9B
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50261011
PNG
((E)-2-(1-decyl-2-oxoindolin-3-ylidene)acetic acid ...)
Show SMILES CCCCCCCCCCN1C(=O)\C(=C\C(O)=O)c2ccccc12
Show InChI InChI=1S/C20H27NO3/c1-2-3-4-5-6-7-8-11-14-21-18-13-10-9-12-16(18)17(20(21)24)15-19(22)23/h9-10,12-13,15H,2-8,11,14H2,1H3,(H,22,23)/b17-15+
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n/an/a 1.30E+4n/an/an/an/an/an/a



Doshisha Women's College of Liberal Arts

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A phosphatase activity


Bioorg Med Chem Lett 18: 3350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.027
BindingDB Entry DOI: 10.7270/Q2P55N9B
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM22842
PNG
(1-dodecyl-2,3-dihydro-1H-indole-2,3-dione | CHEMBL...)
Show SMILES CCCCCCCCCCCCN1C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C20H29NO2/c1-2-3-4-5-6-7-8-9-10-13-16-21-18-15-12-11-14-17(18)19(22)20(21)23/h11-12,14-15H,2-10,13,16H2,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Doshisha Women's College of Liberal Arts

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A phosphatase activity


Bioorg Med Chem Lett 18: 3350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.027
BindingDB Entry DOI: 10.7270/Q2P55N9B
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50260515
PNG
((E)-1-dodecyl-3-(hydroxyimino)indolin-2-one | CHEM...)
Show SMILES CCCCCCCCCCCCN1C(=O)C(N=O)c2ccccc12
Show InChI InChI=1S/C20H30N2O2/c1-2-3-4-5-6-7-8-9-10-13-16-22-18-15-12-11-14-17(18)19(21-24)20(22)23/h11-12,14-15,19H,2-10,13,16H2,1H3
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n/an/a 3.30E+4n/an/an/an/an/an/a



Doshisha Women's College of Liberal Arts

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A phosphatase activity


Bioorg Med Chem Lett 18: 3350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.027
BindingDB Entry DOI: 10.7270/Q2P55N9B
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50261104
PNG
((E)-methyl 2-(1-dodecyl-2-oxoindolin-3-ylidene)ace...)
Show SMILES CCCCCCCCCCCCN1C(=O)\C(=C\C(=O)OC)c2ccccc12
Show InChI InChI=1S/C23H33NO3/c1-3-4-5-6-7-8-9-10-11-14-17-24-21-16-13-12-15-19(21)20(23(24)26)18-22(25)27-2/h12-13,15-16,18H,3-11,14,17H2,1-2H3/b20-18+
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n/an/a 3.70E+4n/an/an/an/an/an/a



Doshisha Women's College of Liberal Arts

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A phosphatase activity


Bioorg Med Chem Lett 18: 3350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.027
BindingDB Entry DOI: 10.7270/Q2P55N9B
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50261056
PNG
((Z)-2-(1-octyl-2-oxoindolin-3-ylidene)acetic acid ...)
Show SMILES CCCCCCCCN1C(=O)\C(=C/C(O)=O)c2ccccc12
Show InChI InChI=1S/C18H23NO3/c1-2-3-4-5-6-9-12-19-16-11-8-7-10-14(16)15(18(19)22)13-17(20)21/h7-8,10-11,13H,2-6,9,12H2,1H3,(H,20,21)/b15-13-
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n/an/a 3.90E+4n/an/an/an/an/an/a



Doshisha Women's College of Liberal Arts

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A phosphatase activity


Bioorg Med Chem Lett 18: 3350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.027
BindingDB Entry DOI: 10.7270/Q2P55N9B
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50261105
PNG
(2-(1-dodecyl-2-oxoindolin-3-yl)acetic acid | CHEMB...)
Show SMILES CCCCCCCCCCCCN1C(=O)C(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H33NO3/c1-2-3-4-5-6-7-8-9-10-13-16-23-20-15-12-11-14-18(20)19(22(23)26)17-21(24)25/h11-12,14-15,19H,2-10,13,16-17H2,1H3,(H,24,25)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Doshisha Women's College of Liberal Arts

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A phosphatase activity


Bioorg Med Chem Lett 18: 3350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.027
BindingDB Entry DOI: 10.7270/Q2P55N9B
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50260971
PNG
((E)-2-(1-octyl-2-oxoindolin-3-ylidene)acetic acid ...)
Show SMILES CCCCCCCCN1C(=O)\C(=C\C(O)=O)c2ccccc12
Show InChI InChI=1S/C18H23NO3/c1-2-3-4-5-6-9-12-19-16-11-8-7-10-14(16)15(18(19)22)13-17(20)21/h7-8,10-11,13H,2-6,9,12H2,1H3,(H,20,21)/b15-13+
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n/an/a 7.80E+4n/an/an/an/an/an/a



Doshisha Women's College of Liberal Arts

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A phosphatase activity


Bioorg Med Chem Lett 18: 3350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.027
BindingDB Entry DOI: 10.7270/Q2P55N9B
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50260970
PNG
((E)-2-(1-hexyl-2-oxoindolin-3-ylidene)acetic acid ...)
Show SMILES CCCCCCN1C(=O)\C(=C\C(O)=O)c2ccccc12
Show InChI InChI=1S/C16H19NO3/c1-2-3-4-7-10-17-14-9-6-5-8-12(14)13(16(17)20)11-15(18)19/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,18,19)/b13-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Doshisha Women's College of Liberal Arts

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A phosphatase activity


Bioorg Med Chem Lett 18: 3350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.027
BindingDB Entry DOI: 10.7270/Q2P55N9B
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50261055
PNG
((Z)-2-(1-hexyl-2-oxoindolin-3-ylidene)acetic acid ...)
Show SMILES CCCCCCN1C(=O)\C(=C/C(O)=O)c2ccccc12
Show InChI InChI=1S/C16H19NO3/c1-2-3-4-7-10-17-14-9-6-5-8-12(14)13(16(17)20)11-15(18)19/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,18,19)/b13-11-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Doshisha Women's College of Liberal Arts

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A phosphatase activity


Bioorg Med Chem Lett 18: 3350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.027
BindingDB Entry DOI: 10.7270/Q2P55N9B
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50261054
PNG
((E)-2-(1-(2-(2-(2-ethoxyethoxy)ethoxy)ethyl)-2-oxo...)
Show SMILES CCOCCOCCOCCN1C(=O)\C(=C\C(O)=O)c2ccccc12
Show InChI InChI=1S/C18H23NO6/c1-2-23-9-10-25-12-11-24-8-7-19-16-6-4-3-5-14(16)15(18(19)22)13-17(20)21/h3-6,13H,2,7-12H2,1H3,(H,20,21)/b15-13+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Doshisha Women's College of Liberal Arts

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A phosphatase activity


Bioorg Med Chem Lett 18: 3350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.027
BindingDB Entry DOI: 10.7270/Q2P55N9B
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50261014
PNG
((E)-2-(2-oxo-1-(3-phenylpropyl)indolin-3-ylidene)a...)
Show SMILES OC(=O)\C=C1\C(=O)N(CCCc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H17NO3/c21-18(22)13-16-15-10-4-5-11-17(15)20(19(16)23)12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13H,6,9,12H2,(H,21,22)/b16-13+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Doshisha Women's College of Liberal Arts

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A phosphatase activity


Bioorg Med Chem Lett 18: 3350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.027
BindingDB Entry DOI: 10.7270/Q2P55N9B
More data for this
Ligand-Target Pair