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Compile Data Set for Download or QSAR

Found 349 hits Enz. Inhib. hit(s) with Target = 'Dual specificity phosphatase Cdc25A' AND taxid = 9606   
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
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50106497
PNG
(6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...)
Show SMILES Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12
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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29n/an/an/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM41999
PNG
(3-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)propionic ...)
Show SMILES OC(=O)CCc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
Show InChI InChI=1S/C16H12O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-2,4-5,17,21-22H,3,6H2,(H,19,20)
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70n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by Lineweav...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM26613
PNG
((2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-...)
Show SMILES OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;
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72n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Cdc25a catalytic domain expressed in Escherichia coli BL21(DE3) using 3-O-Methylfluorescein phosphate as substrat...


Bioorg Med Chem 20: 4371-6 (2012)


Article DOI: 10.1016/j.bmc.2012.05.040
BindingDB Entry DOI: 10.7270/Q2RB75N4
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50388723
PNG
(CHEMBL2057662)
Show SMILES OC(=O)CCc1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H9O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-5H,6-7H2,(H,10,11);2*1H2;;/q;;;;+2/p-2
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1.70E+3n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Cdc25a catalytic domain expressed in Escherichia coli BL21(DE3) using 3-O-Methylfluorescein phosphate as substrat...


Bioorg Med Chem 20: 4371-6 (2012)


Article DOI: 10.1016/j.bmc.2012.05.040
BindingDB Entry DOI: 10.7270/Q2RB75N4
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM26617
PNG
(4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxy...)
Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C16H10O7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)
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2.30E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by Lineweav...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50174562
PNG
(CHEMBL3809320)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+
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3.10E+3n/an/an/an/an/an/an/an/a



Universit£ de Lorraine

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/inhibitor comple...


Bioorg Med Chem 24: 2920-2928 (2016)


Article DOI: 10.1016/j.bmc.2016.04.063
BindingDB Entry DOI: 10.7270/Q22J6DS9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50174562
PNG
(CHEMBL3809320)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+
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3.90E+3n/an/an/an/an/an/an/an/a



Universit£ de Lorraine

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/substrate/inhibi...


Bioorg Med Chem 24: 2920-2928 (2016)


Article DOI: 10.1016/j.bmc.2016.04.063
BindingDB Entry DOI: 10.7270/Q22J6DS9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50174562
PNG
(CHEMBL3809320)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+
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4.80E+3n/an/an/an/an/an/an/an/a



Universit£ de Lorraine

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/inhibitor comple...


Bioorg Med Chem 24: 2920-2928 (2016)


Article DOI: 10.1016/j.bmc.2016.04.063
BindingDB Entry DOI: 10.7270/Q22J6DS9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50174562
PNG
(CHEMBL3809320)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+
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5.10E+3n/an/an/an/an/an/an/an/a



Universit£ de Lorraine

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/substrate/inhibi...


Bioorg Med Chem 24: 2920-2928 (2016)


Article DOI: 10.1016/j.bmc.2016.04.063
BindingDB Entry DOI: 10.7270/Q22J6DS9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50174562
PNG
(CHEMBL3809320)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+
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1.22E+4n/an/an/an/an/an/an/an/a



Universit£ de Lorraine

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/substrate/inhibi...


Bioorg Med Chem 24: 2920-2928 (2016)


Article DOI: 10.1016/j.bmc.2016.04.063
BindingDB Entry DOI: 10.7270/Q22J6DS9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50253594
PNG
(1-(3,4-dihydroxyphenyl)-2-[2-(4-methoxyphenyl)-2H-...)
Show SMILES COc1ccc(cc1)-n1nnc(SCC(=O)c2ccc(O)c(O)c2)n1
Show InChI InChI=1S/C16H14N4O4S/c1-24-12-5-3-11(4-6-12)20-18-16(17-19-20)25-9-15(23)10-2-7-13(21)14(22)8-10/h2-8,21-22H,9H2,1H3
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2.04E+4n/an/an/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Binding affinity to Cdc25A (336-523) (unknown origin) expressed in Escherichia coli by steady-state kinetic assay


J Med Chem 51: 5533-41 (2008)


Article DOI: 10.1021/jm701157g
BindingDB Entry DOI: 10.7270/Q20V8CMW
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50253593
PNG
(2-(3,4-Dimethylphenylamino)-5-(3-furan-2-ylallylid...)
Show SMILES Cc1ccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)cc1C
Show InChI InChI=1S/C18H16N2O2S/c1-12-8-9-14(11-13(12)2)19-18-20-17(21)16(23-18)7-3-5-15-6-4-10-22-15/h3-11H,1-2H3,(H,19,20,21)
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2.14E+4n/an/an/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Binding affinity to Cdc25A (336-523) (unknown origin) expressed in Escherichia coli by steady-state kinetic assay


J Med Chem 51: 5533-41 (2008)


Article DOI: 10.1021/jm701157g
BindingDB Entry DOI: 10.7270/Q20V8CMW
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50237948
PNG
((E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-me...)
Show SMILES Clc1ccc(cc1)-c1ccc(\C=C\C2NC(=O)C(C#N)C(=S)N2c2ccccc2)o1
Show InChI InChI=1S/C23H16ClN3O2S/c24-16-8-6-15(7-9-16)20-12-10-18(29-20)11-13-21-26-22(28)19(14-25)23(30)27(21)17-4-2-1-3-5-17/h1-13,19,21H,(H,26,28)/b13-11+
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2.92E+4n/an/an/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Binding affinity to Cdc25A (336-523) (unknown origin) expressed in Escherichia coli by steady-state kinetic assay


J Med Chem 51: 5533-41 (2008)


Article DOI: 10.1021/jm701157g
BindingDB Entry DOI: 10.7270/Q20V8CMW
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50174562
PNG
(CHEMBL3809320)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+
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3.71E+4n/an/an/an/an/an/an/an/a



Universit£ de Lorraine

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/inhibitor comple...


Bioorg Med Chem 24: 2920-2928 (2016)


Article DOI: 10.1016/j.bmc.2016.04.063
BindingDB Entry DOI: 10.7270/Q22J6DS9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50253622
PNG
(2-[4-(4-chlorophenyl)-5-p-tolyl-4H-[1,2,4]triazol-...)
Show SMILES Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18ClN3O3S/c1-14-2-4-15(5-3-14)22-25-26-23(27(22)18-9-7-17(24)8-10-18)31-13-21(30)16-6-11-19(28)20(29)12-16/h2-12,28-29H,13H2,1H3
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3.75E+4n/an/an/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Binding affinity to Cdc25A (336-523) (unknown origin) expressed in Escherichia coli by steady-state kinetic assay


J Med Chem 51: 5533-41 (2008)


Article DOI: 10.1021/jm701157g
BindingDB Entry DOI: 10.7270/Q20V8CMW
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50328823
PNG
(5,5'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)dif...)
Show SMILES OS(=O)(=O)c1ccc(o1)-c1nnc(nc1-c1ccc(o1)S(O)(=O)=O)-c1ccccn1
Show InChI InChI=1S/C16H10N4O8S2/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9/h1-8H,(H,21,22,23)(H,24,25,26)
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1.39E+5n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by Lineweav...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50388538
PNG
(CHEMBL507159)
Show SMILES COc1ccc(Cc2ccc3[nH]c(=O)cc(C)c3c2)cc1S(O)(=O)=O
Show InChI InChI=1S/C18H17NO5S/c1-11-7-18(20)19-15-5-3-12(9-14(11)15)8-13-4-6-16(24-2)17(10-13)25(21,22)23/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,21,22,23)
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2.03E+5n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by Lineweav...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50208827
PNG
(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Show SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2
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n/an/a 22n/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM26613
PNG
((2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-...)
Show SMILES OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;
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n/an/a 110n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Cdc25a catalytic domain expressed in Escherichia coli BL21(DE3) using 3-O-Methylfluorescein phosphate as substrat...


Bioorg Med Chem 20: 4371-6 (2012)


Article DOI: 10.1016/j.bmc.2012.05.040
BindingDB Entry DOI: 10.7270/Q2RB75N4
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM41999
PNG
(3-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)propionic ...)
Show SMILES OC(=O)CCc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
Show InChI InChI=1S/C16H12O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-2,4-5,17,21-22H,3,6H2,(H,19,20)
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n/an/a 240n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50341995
PNG
(5-(2-(dimethylamino)ethylamino)-2,6-dimethylbenzo[...)
Show SMILES CN(C)CC=Nc1c(C)c(O)c2sc(C)nc2c1O
Show InChI InChI=1S/C13H17N3O2S/c1-7-9(14-5-6-16(3)4)12(18)10-13(11(7)17)19-8(2)15-10/h5,17-18H,6H2,1-4H3
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n/an/a 250n/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM41999
PNG
(3-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)propionic ...)
Show SMILES OC(=O)CCc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
Show InChI InChI=1S/C16H12O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-2,4-5,17,21-22H,3,6H2,(H,19,20)
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n/an/a 330n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate in presence...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50147586
PNG
((S)-4-{2-[(3R,7S)-1-((2R,3R)-1,5-Dimethyl-hexyl)-4...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@@]2(C)C[C@H](O)C1=CC(=O)OC1O
Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20+,21?,23?,24+,25-/m1/s1
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n/an/a 440n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Cell division cycle 25A activity


Bioorg Med Chem Lett 14: 3291-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.100
BindingDB Entry DOI: 10.7270/Q23T9GNJ
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50342000
PNG
(4-((S)-2-((1R,3aS,4S,7aR)-4,7a-dimethyl-1-((R)-6-m...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C[C@H](O)C1=CC(=O)OC1O
Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20+,21+,23?,24+,25-/m1/s1
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n/an/a 440n/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50147585
PNG
((R)-4-{2-[(3R,7R)-1-((2R,3R)-1,5-Dimethyl-hexyl)-4...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@]2(C)C[C@@H](O)C1=CC(=O)OC1O
Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20-,21?,23?,24-,25-/m1/s1
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n/an/a 480n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Cell division cycle 25A activity


Bioorg Med Chem Lett 14: 3291-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.100
BindingDB Entry DOI: 10.7270/Q23T9GNJ
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50150613
PNG
(CHEMBL179992 | CHEMBL182645 | [(1R,4S,7aR)-1-(1,5-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCCC2(C)COP(O)(O)=O
Show InChI InChI=1S/C20H39O4P/c1-15(2)8-6-9-16(3)17-10-11-18-19(4,14-24-25(21,22)23)12-7-13-20(17,18)5/h15-18H,6-14H2,1-5H3,(H2,21,22,23)/t16-,17-,18?,19?,20-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory concentration againsts dual-specificity phosphatase Cell division cycle (Cdc) 25A


Bioorg Med Chem Lett 14: 4339-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.083
BindingDB Entry DOI: 10.7270/Q2Q52P37
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50097532
PNG
(CHEMBL354794 | [17-(1,5-Dimethyl-hexyl)-10,13-dime...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCC(O)=O
Show InChI InChI=1S/C29H50O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h19-26H,6-18H2,1-5H3,(H,30,31)/t20-,21+,22+,23+,24-,25+,26+,28+,29-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)


J Med Chem 44: 834-48 (2001)


Article DOI: 10.1021/jm0004401
BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50388826
PNG
(CHEMBL2062715)
Show SMILES Oc1c(Cl)c(N=CCN2CCCCC2)c(O)c2ncccc12
Show InChI InChI=1S/C16H18ClN3O2/c17-12-14(19-7-10-20-8-2-1-3-9-20)16(22)13-11(15(12)21)5-4-6-18-13/h4-7,21-22H,1-3,8-10H2
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n/an/a 790n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25A in presence of 2 mM DTT


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50341999
PNG
((R)-5-hydroxy-4-(2-((1R,2R,5S,8aS)-1,2,5-trimethyl...)
Show SMILES C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CCCC(C)=C)[C@]1(C)CC(=O)C1=CC(=O)O[C@H]1O
Show InChI InChI=1S/C25H36O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h11,14,17,20,23,28H,1,6-10,12-13,15H2,2-5H3/t17-,20-,23-,24-,25-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50253622
PNG
(2-[4-(4-chlorophenyl)-5-p-tolyl-4H-[1,2,4]triazol-...)
Show SMILES Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18ClN3O3S/c1-14-2-4-15(5-3-14)22-25-26-23(27(22)18-9-7-17(24)8-10-18)31-13-21(30)16-6-11-19(28)20(29)12-16/h2-12,28-29H,13H2,1H3
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n/an/a 800n/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50253622
PNG
(2-[4-(4-chlorophenyl)-5-p-tolyl-4H-[1,2,4]triazol-...)
Show SMILES Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18ClN3O3S/c1-14-2-4-15(5-3-14)22-25-26-23(27(22)18-9-7-17(24)8-10-18)31-13-21(30)16-6-11-19(28)20(29)12-16/h2-12,28-29H,13H2,1H3
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n/an/a 820n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25A (336-523) (unknown origin) expressed in Escherichia coli


J Med Chem 51: 5533-41 (2008)


Article DOI: 10.1021/jm701157g
BindingDB Entry DOI: 10.7270/Q20V8CMW
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50147582
PNG
(4-{(R)-2-[(3aR,4S)-1-((1R,2R)-1,5-Dimethyl-hexyl)-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@@]2(C)C[C@@H](O)C1=CC(=O)OC1O
Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20-,21?,23?,24+,25-/m1/s1
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n/an/a 860n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Cell division cycle 25A activity


Bioorg Med Chem Lett 14: 3291-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.100
BindingDB Entry DOI: 10.7270/Q23T9GNJ
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50147583
PNG
((S)-4-Methylene-3-{2-[(R)-7a-(R)-methyl-1-((R)-5-m...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
Show InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26?,27-/m1/s1
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n/an/a 890n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Cell division cycle 25A activity; Value ranges from 0.44 uM to 0.89 uM


Bioorg Med Chem Lett 14: 3291-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.100
BindingDB Entry DOI: 10.7270/Q23T9GNJ
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50147587
PNG
((S)-4-{2-[(3R,7R)-1-((2R,3R)-1,5-Dimethyl-hexyl)-4...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@]2(C)C[C@H](O)C1=CC(=O)OC1O
Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20+,21?,23?,24-,25-/m1/s1
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n/an/a 890n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Cell division cycle 25A activity


Bioorg Med Chem Lett 14: 3291-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.100
BindingDB Entry DOI: 10.7270/Q23T9GNJ
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50097529
PNG
(CHEMBL354215 | [17-(1,5-Dimethyl-hexyl)-10,13-dime...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=S)SCC(O)=O
Show InChI InChI=1S/C30H50O3S2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(33-28(34)35-18-27(31)32)13-15-29(21,4)26(23)14-16-30(24,25)5/h19-26H,6-18H2,1-5H3,(H,31,32)/t20-,21+,22+,23+,24-,25+,26+,29+,30-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)


J Med Chem 44: 834-48 (2001)


Article DOI: 10.1021/jm0004401
BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50150613
PNG
(CHEMBL179992 | CHEMBL182645 | [(1R,4S,7aR)-1-(1,5-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCCC2(C)COP(O)(O)=O
Show InChI InChI=1S/C20H39O4P/c1-15(2)8-6-9-16(3)17-10-11-18-19(4,14-24-25(21,22)23)12-7-13-20(17,18)5/h15-18H,6-14H2,1-5H3,(H2,21,22,23)/t16-,17-,18?,19?,20-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory concentration againsts dual-specificity phosphatase Cell division cycle (Cdc) 25A


Bioorg Med Chem Lett 14: 4339-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.083
BindingDB Entry DOI: 10.7270/Q2Q52P37
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50129579
PNG
(2,5-Dihydroxy-3-[7-(2-methyl-benzyl)-1H-indol-3-yl...)
Show SMILES Cc1ccccc1Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O
Show InChI InChI=1S/C22H17NO4/c1-12-5-2-3-6-13(12)9-14-7-4-8-15-16(11-23-20(14)15)19-21(26)17(24)10-18(25)22(19)27/h2-8,11,19,23H,9-10H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Eight point inhibitory concentration against Cell division cycle 25A was determined


J Med Chem 46: 2580-8 (2003)


Article DOI: 10.1021/jm0300835
BindingDB Entry DOI: 10.7270/Q2RJ4HVW
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50342001
PNG
(1-(biphenyl-4-yl)-3,4-bis(2-hydroxyethylthio)-1H-p...)
Show SMILES OCCSC1=C(SCCO)C(=O)N(C1=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H19NO4S2/c22-10-12-26-17-18(27-13-11-23)20(25)21(19(17)24)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,22-23H,10-13H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50129583
PNG
(3-[7-(3,7-Dimethyl-octa-2,6-dienyl)-1H-indol-3-yl]...)
Show SMILES CC(C)=CCC\C(C)=C\Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O
Show InChI InChI=1S/C24H25NO4/c1-14(2)6-4-7-15(3)10-11-16-8-5-9-17-18(13-25-22(16)17)21-23(28)19(26)12-20(27)24(21)29/h5-6,8-10,13,21,25H,4,7,11-12H2,1-3H3/b15-10+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Eight point inhibitory concentration against Cell division cycle 25A was determined


J Med Chem 46: 2580-8 (2003)


Article DOI: 10.1021/jm0300835
BindingDB Entry DOI: 10.7270/Q2RJ4HVW
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50097528
PNG
(CHEMBL169020 | Dithiocarbonic acid O-[17-(1,5-dime...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(S)=S
Show InChI InChI=1S/C28H48OS2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(29-26(30)31)13-15-27(20,4)25(22)14-16-28(23,24)5/h18-25H,6-17H2,1-5H3,(H,30,31)/t19-,20+,21+,22+,23-,24+,25+,27+,28-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)


J Med Chem 44: 834-48 (2001)


Article DOI: 10.1021/jm0004401
BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50177318
PNG
(2-(4-(7-(4-tetradecylbenzoyl)cyclopenta[d][1,2]oxa...)
Show SMILES CCCCCCCCCCCCCCc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C36H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-15-17-29(18-16-27)36(40)32-24-23-31-33(32)25-42-37-35(31)28-19-21-30(22-20-28)41-26-34(38)39/h15-25H,2-14,26H2,1H3,(H,38,39)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against cdc25A phosphatase


Bioorg Med Chem Lett 16: 499-502 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.062
BindingDB Entry DOI: 10.7270/Q2319VFG
More data for this
Ligand-Target Pair
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))
BDBM50097530
PNG
(CHEMBL168868 | [5-(5-Cyano-1-methyl-pentyl)-1-(1,5...)
Show SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)C(C)CCCCC#N
Show InChI InChI=1S/C27H47NO2/c1-19(2)10-9-12-21(4)24-13-14-25-23(18-26(29)30)22(15-16-27(24,25)5)20(3)11-7-6-8-17-28/h19-25H,6-16,18H2,1-5H3,(H,29,30)/t20?,21?,22-,23-,24-,25+,27-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)


J Med Chem 44: 834-48 (2001)


Article DOI: 10.1021/jm0004401
BindingDB Entry DOI: 10.7270/Q2C82B14
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))
BDBM50341996
PNG
((2R,3R)-2,3-Dibromo-3-methyl-1,1-dioxo-1lambda*6*-...)
Show SMILES C[C@]1(Br)[C@@H](Br)S(=O)(=O)c2ccccc2C1=O
Show InChI InChI=1S/C10H8Br2O3S/c1-10(12)8(13)6-4-2-3-5-7(6)16(14,15)9(10)11/h2-5,9H,1H3/t9-,10+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50097542
PNG
(CHEMBL354816 | Phenyl-thiocarbamic acid O-[17-(1,5...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=S)Nc1ccccc1
Show InChI InChI=1S/C34H53NOS/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-25-22-27(36-32(37)35-26-12-7-6-8-13-26)18-20-33(25,4)31(28)19-21-34(29,30)5/h6-8,12-13,23-25,27-31H,9-11,14-22H2,1-5H3,(H,35,37)/t24-,25+,27+,28+,29-,30+,31+,33+,34-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)


J Med Chem 44: 834-48 (2001)


Article DOI: 10.1021/jm0004401
BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50297585
PNG
(CHEMBL557673 | N-(1-benzyl-1H-pyrrolo[3,2-b]quinox...)
Show SMILES O=S(=O)(Nc1cc2nc3ccccc3nc2n1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H18N4O2S/c28-30(29,18-11-5-2-6-12-18)26-22-15-21-23(25-20-14-8-7-13-19(20)24-21)27(22)16-17-9-3-1-4-10-17/h1-15,26H,16H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25A


Bioorg Med Chem Lett 19: 4372-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.078
BindingDB Entry DOI: 10.7270/Q2D79BGK
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50068031
PNG
(CHEMBL142455 | [(1R,3aS,4R,5S,7aR)-5-(5-Cyano-1-me...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)C(=C)CCCCC#N
Show InChI InChI=1S/C27H45NO2/c1-19(2)10-9-12-21(4)24-13-14-25-23(18-26(29)30)22(15-16-27(24,25)5)20(3)11-7-6-8-17-28/h19,21-25H,3,6-16,18H2,1-2,4-5H3,(H,29,30)/t21-,22-,23-,24-,25+,27-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Cdc25A phosphatase by using fluorescein diphosphate as substrate


J Med Chem 41: 4677-80 (1998)


Article DOI: 10.1021/jm980500r
BindingDB Entry DOI: 10.7270/Q2PC31JB
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50068031
PNG
(CHEMBL142455 | [(1R,3aS,4R,5S,7aR)-5-(5-Cyano-1-me...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)C(=C)CCCCC#N
Show InChI InChI=1S/C27H45NO2/c1-19(2)10-9-12-21(4)24-13-14-25-23(18-26(29)30)22(15-16-27(24,25)5)20(3)11-7-6-8-17-28/h19,21-25H,3,6-16,18H2,1-2,4-5H3,(H,29,30)/t21-,22-,23-,24-,25+,27-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)


J Med Chem 44: 834-48 (2001)


Article DOI: 10.1021/jm0004401
BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
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