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Compile Data Set for Download or QSAR

Found 126 hits Enz. Inhib. hit(s) with Target = 'Dual specificity phosphatase Cdc25C'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cdc25C


(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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89n/an/an/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25C


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
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50504063
PNG
(CHEMBL4570006)
Show SMILES CCOC(=O)c1ccccc1Nc1cccc2ccccc12
Show InChI InChI=1S/C19H17NO2/c1-2-22-19(21)16-11-5-6-12-18(16)20-17-13-7-9-14-8-3-4-10-15(14)17/h3-13,20H,2H2,1H3
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400n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human CDC25C (280 to 454 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate by doub...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
More data for this
Ligand-Target Pair
Cdc25C


(Homo sapiens (Human))
BDBM50129576
PNG
(2,5-Dihydroxy-3-[7-(3,7,11-trimethyl-dodeca-2,6,10...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O
Show InChI InChI=1S/C29H33NO4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-21-12-7-13-22-23(17-30-27(21)22)26-28(33)24(31)16-25(32)29(26)34/h7-8,10,12-14,17,26,30H,5-6,9,11,15-16H2,1-4H3/b19-10+,20-14+
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640n/an/an/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibitory constant of compound against Cell division cycle 25 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
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50504074
PNG
(CHEMBL4447602)
Show SMILES CCOC(=O)c1cccc(Nc2cc(OC)cc3ccccc23)c1
Show InChI InChI=1S/C20H19NO3/c1-3-24-20(22)15-8-6-9-16(11-15)21-19-13-17(23-2)12-14-7-4-5-10-18(14)19/h4-13,21H,3H2,1-2H3
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1.90E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human CDC25C (280 to 454 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate by doub...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
More data for this
Ligand-Target Pair
Cdc25C


(Homo sapiens (Human))
BDBM50131547
PNG
(2-(N-(4-(2-acetamido-3-(4-(5-chloro-3-hydroxy-2-(m...)
Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cc(Cl)cc(O)c2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C34H36ClN3O11/c1-4-21-15-20(11-12-25(21)38(31(42)33(45)46)26-10-6-5-9-23(26)32(43)44)16-24(37-19(2)39)30(41)36-13-7-8-14-49-28-18-22(35)17-27(40)29(28)34(47)48-3/h5-6,9-12,15,17-18,24,40H,4,7-8,13-14,16H2,1-3H3,(H,36,41)(H,37,39)(H,43,44)(H,45,46)
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>3.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cell division cycle 25 degree C (Cdc25 C) was determined


J Med Chem 46: 3437-40 (2003)


Article DOI: 10.1021/jm034088d
BindingDB Entry DOI: 10.7270/Q2WW7H1Z
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50504077
PNG
(CHEMBL4442406)
Show SMILES Nc1cccc2c(Nc3cccc(c3)C(O)=O)cccc12
Show InChI InChI=1S/C17H14N2O2/c18-15-8-2-7-14-13(15)6-3-9-16(14)19-12-5-1-4-11(10-12)17(20)21/h1-10,19H,18H2,(H,20,21)
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4.00E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human CDC25C (280 to 454 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate by doub...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
More data for this
Ligand-Target Pair
Cdc25C


(Homo sapiens (Human))
BDBM50132461
PNG
(2-(4-{2-tert-Butoxycarbonylamino-2-[4-(3-hydroxy-2...)
Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C29H36N2O12/c1-29(2,3)43-28(39)31-19(16-17-10-12-18(13-11-17)42-23(25(34)35)26(36)37)24(33)30-14-5-6-15-41-21-9-7-8-20(32)22(21)27(38)40-4/h7-13,19,23,32H,5-6,14-16H2,1-4H3,(H,30,33)(H,31,39)(H,34,35)(H,36,37)
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>3.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against Cell division cycle 25 degree C


Bioorg Med Chem Lett 13: 3129-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00725-x
BindingDB Entry DOI: 10.7270/Q24B30QV
More data for this
Ligand-Target Pair
Cdc25C


(Homo sapiens (Human))
BDBM50132460
PNG
(2-[4-((S)-2-tert-Butoxycarbonylamino-3-{4-[(2-carb...)
Show SMILES CCC(CN(C(=O)C(O)=O)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)cc1)C(O)=O
Show InChI InChI=1S/C33H43N3O12/c1-6-21(29(40)41)19-36(28(39)30(42)43)22-14-12-20(13-15-22)18-23(35-32(45)48-33(2,3)4)27(38)34-16-7-8-17-47-25-11-9-10-24(37)26(25)31(44)46-5/h9-15,21,23,37H,6-8,16-19H2,1-5H3,(H,34,38)(H,35,45)(H,40,41)(H,42,43)/t21?,23-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against Cell division cycle 25 degree C


Bioorg Med Chem Lett 13: 3129-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00725-x
BindingDB Entry DOI: 10.7270/Q24B30QV
More data for this
Ligand-Target Pair
Cdc25C


(Homo sapiens (Human))
BDBM50132465
PNG
(5-{(S)-2-((S)-2-tert-Butoxycarbonylamino-3-phenyl-...)
Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C)C(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C39H47N3O13/c1-23(35(46)47)54-30-17-16-25(20-26(30)36(48)49)22-27(33(44)40-18-9-10-19-53-31-15-11-14-29(43)32(31)37(50)52-5)41-34(45)28(21-24-12-7-6-8-13-24)42-38(51)55-39(2,3)4/h6-8,11-17,20,23,27-28,43H,9-10,18-19,21-22H2,1-5H3,(H,40,44)(H,41,45)(H,42,51)(H,46,47)(H,48,49)/t23?,27-,28-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against Cell division cycle 25 degree C


Bioorg Med Chem Lett 13: 3129-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00725-x
BindingDB Entry DOI: 10.7270/Q24B30QV
More data for this
Ligand-Target Pair
Cdc25C


(Homo sapiens (Human))
BDBM50131545
PNG
((S)-2-(N-(4-(2-(allyloxycarbonylamino)-3-(4-(3-hyd...)
Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(cc1)N(C(=O)C(O)=O)c1ccccc1C(O)=O)NC(=O)OCC=C
Show InChI InChI=1S/C34H35N3O12/c1-3-18-49-34(46)36-24(29(39)35-17-6-7-19-48-27-12-8-11-26(38)28(27)33(45)47-2)20-21-13-15-22(16-14-21)37(30(40)32(43)44)25-10-5-4-9-23(25)31(41)42/h3-5,8-16,24,38H,1,6-7,17-20H2,2H3,(H,35,39)(H,36,46)(H,41,42)(H,43,44)/t24-/m0/s1
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1.78E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cell division cycle 25 degree C was determined


J Med Chem 46: 3437-40 (2003)


Article DOI: 10.1021/jm034088d
BindingDB Entry DOI: 10.7270/Q2WW7H1Z
More data for this
Ligand-Target Pair
Cdc25C


(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 56.9n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25C


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
Dual specificity phosphatase Cdc25C


(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 78n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50504275
PNG
(CHEMBL4521092)
Show SMILES Cc1ccc(Cn2cc(CNC3=C(Cl)C(=O)c4cccnc4C3=O)nn2)cc1
Show InChI InChI=1S/C20H16ClN5O2/c1-12-4-6-13(7-5-12)10-26-11-14(24-25-26)9-23-18-16(21)19(27)15-3-2-8-22-17(15)20(18)28/h2-8,11,23H,9-10H2,1H3
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n/an/a 90n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc25C using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111696
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251697
PNG
(CHEMBL4093222)
Show SMILES O=C1C=CC(=O)c2c1ccc1c3ccc4ccccc4c3oc(=O)c21
Show InChI InChI=1S/C21H10O4/c22-16-9-10-17(23)18-15(16)8-7-13-14-6-5-11-3-1-2-4-12(11)20(14)25-21(24)19(13)18/h1-10H
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n/an/a 100n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair
Cdc25C


(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
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
Cdc25C


(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
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
Cdc25C


(Homo sapiens (Human))
BDBM50175218
PNG
(5-(2-(dimethylamino)ethylamino)-2-methylbenzo[d]th...)
Show SMILES CN(C)CC=Nc1cc(O)c2sc(C)nc2c1O
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
Cdc25C


(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 170n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25C


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
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50504277
PNG
(CHEMBL4566962)
Show SMILES ClC1=C(NCc2cn(Cc3cccc(c3)C#N)nn2)C(=O)c2ncccc2C1=O
Show InChI InChI=1S/C20H13ClN6O2/c21-16-18(20(29)17-15(19(16)28)5-2-6-23-17)24-9-14-11-27(26-25-14)10-13-4-1-3-12(7-13)8-22/h1-7,11,24H,9-10H2
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n/an/a 210n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc25C using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111696
More data for this
Ligand-Target Pair
Cdc25C


(Homo sapiens (Human))
BDBM50175219
PNG
(6-(2-(dimethylamino)ethylamino)-2-phenylbenzo[d]ox...)
Show SMILES CN(C)CC=Nc1cc(O)c2nc(oc2c1O)-c1ccccc1
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
Cdc25C


(Homo sapiens (Human))
BDBM50175217
PNG
(5-(2-(dimethylamino)ethylamino)-2-phenylbenzo[d]ox...)
Show SMILES CN(C)CC=Nc1cc(O)c2oc(nc2c1O)-c1ccccc1
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
Cdc25C


(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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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
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251724
PNG
(CHEMBL4066424)
Show SMILES CCN(CC)c1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21
Show InChI InChI=1S/C21H17NO4/c1-3-22(4-2)12-5-6-13-14-7-8-15-16(23)9-10-17(24)19(15)20(14)21(25)26-18(13)11-12/h5-11H,3-4H2,1-2H3
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n/an/a 300n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251670
PNG
(CHEMBL4085485)
Show SMILES Fc1ccc2oc(=O)c3c4C(=O)C=CC(=O)c4ccc3c2c1
Show InChI InChI=1S/C17H7FO4/c18-8-1-6-14-11(7-8)9-2-3-10-12(19)4-5-13(20)15(10)16(9)17(21)22-14/h1-7H
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n/an/a 400n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50504276
PNG
(CHEMBL4466461)
Show SMILES ClC1=C(NCc2cn(Cc3ccccc3C#N)nn2)C(=O)c2ncccc2C1=O
Show InChI InChI=1S/C20H13ClN6O2/c21-16-18(20(29)17-15(19(16)28)6-3-7-23-17)24-9-14-11-27(26-25-14)10-13-5-2-1-4-12(13)8-22/h1-7,11,24H,9-10H2
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n/an/a 420n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc25C using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111696
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251672
PNG
(CHEMBL4060132)
Show SMILES Fc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21
Show InChI InChI=1S/C17H7FO4/c18-8-1-2-9-10-3-4-11-12(19)5-6-13(20)15(11)16(10)17(21)22-14(9)7-8/h1-7H
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n/an/a 690n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(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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n/an/a 760n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc25C using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111696
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251671
PNG
(CHEMBL4097725)
Show SMILES Clc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21
Show InChI InChI=1S/C17H7ClO4/c18-8-1-2-9-10-3-4-11-12(19)5-6-13(20)15(11)16(10)17(21)22-14(9)7-8/h1-7H
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n/an/a 770n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251688
PNG
(CHEMBL4086414)
Show SMILES Oc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21
Show InChI InChI=1S/C17H8O5/c18-8-1-2-9-10-3-4-11-12(19)5-6-13(20)15(11)16(10)17(21)22-14(9)7-8/h1-7,18H
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n/an/a 800n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251687
PNG
(CHEMBL4066643)
Show SMILES COc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21
Show InChI InChI=1S/C18H10O5/c1-22-9-2-3-10-11-4-5-12-13(19)6-7-14(20)16(12)17(11)18(21)23-15(10)8-9/h2-8H,1H3
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n/an/a 980n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251723
PNG
(CHEMBL4094178)
Show SMILES Cc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21
Show InChI InChI=1S/C18H10O4/c1-9-2-3-10-11-4-5-12-13(19)6-7-14(20)16(12)17(11)18(21)22-15(10)8-9/h2-8H,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251732
PNG
(CHEMBL4075821)
Show SMILES Clc1ccc2oc(=O)c3c4C(=O)C=CC(=O)c4ccc3c2c1
Show InChI InChI=1S/C17H7ClO4/c18-8-1-6-14-11(7-8)9-2-3-10-12(19)4-5-13(20)15(10)16(9)17(21)22-14/h1-7H
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n/an/a 1.44E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair
Cdc25C


(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 2.27E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against cdc25C 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
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251722
PNG
(CHEMBL4098262)
Show SMILES O=C1C=CC(=O)c2c1ccc1c3ccccc3oc(=O)c21
Show InChI InChI=1S/C17H8O4/c18-12-7-8-13(19)15-11(12)6-5-10-9-3-1-2-4-14(9)21-17(20)16(10)15/h1-8H
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n/an/a 2.30E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair
Cdc25C


(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 3.50E+3n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Eight point inhibitory concentration against Cell division cycle 25 degree C 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
Cdc25C


(Homo sapiens (Human))
BDBM50129576
PNG
(2,5-Dihydroxy-3-[7-(3,7,11-trimethyl-dodeca-2,6,10...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O
Show InChI InChI=1S/C29H33NO4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-21-12-7-13-22-23(17-30-27(21)22)26-28(33)24(31)16-25(32)29(26)34/h7-8,10,12-14,17,26,30H,5-6,9,11,15-16H2,1-4H3/b19-10+,20-14+
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n/an/a 3.50E+3n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Eight point inhibitory concentration against Cell division cycle 25 degree C 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
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251698
PNG
(CHEMBL4105005)
Show SMILES O=C1C=CC(=O)c2c1ccc1c3ccccc3[nH]c(=O)c21
Show InChI InChI=1S/C17H9NO3/c19-13-7-8-14(20)15-11(13)6-5-10-9-3-1-2-4-12(9)18-17(21)16(10)15/h1-8H,(H,18,21)
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n/an/a 3.64E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125 I]alpha-bungarotoxin (alpha-BgT) from torpedo alpha1-beta1-gamma1 electroplax


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair
Cdc25C


(Homo sapiens (Human))
BDBM50155597
PNG
(4-Dimethylamino-2-{[2-(4-nitro-phenyl)-ethylamino]...)
Show SMILES CN(C)c1ccc(O)c(CNCCc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C17H21N3O3/c1-19(2)16-7-8-17(21)14(11-16)12-18-10-9-13-3-5-15(6-4-13)20(22)23/h3-8,11,18,21H,9-10,12H2,1-2H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory concentration for human cell division cycle 25 degree C phosphatase


Bioorg Med Chem Lett 14: 5809-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.041
BindingDB Entry DOI: 10.7270/Q2H41S67
More data for this
Ligand-Target Pair
Cdc25C


(Homo sapiens (Human))
BDBM50155595
PNG
(4-Dimethylamino-2-methoxy-6-{[2-(4-nitro-phenyl)-e...)
Show SMILES COc1cc(cc(CNCCc2ccc(cc2)[N+]([O-])=O)c1O)N(C)C
Show InChI InChI=1S/C18H23N3O4/c1-20(2)16-10-14(18(22)17(11-16)25-3)12-19-9-8-13-4-6-15(7-5-13)21(23)24/h4-7,10-11,19,22H,8-9,12H2,1-3H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory concentration for human cell division cycle 25 degree C phosphatase


Bioorg Med Chem Lett 14: 5809-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.041
BindingDB Entry DOI: 10.7270/Q2H41S67
More data for this
Ligand-Target Pair
Cdc25C


(Homo sapiens (Human))
BDBM50197854
PNG
(3-(4-heptadecyl-2,5-dioxo-2,5-dihydrofuran-3-yl)pr...)
Show SMILES CCCCCCCCCCCCCCCCCC1=C(CCC(O)=O)C(=O)OC1=O
Show InChI InChI=1S/C24H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21(18-19-22(25)26)24(28)29-23(20)27/h2-19H2,1H3,(H,25,26)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Université Paul Verlaine-Metz

Curated by ChEMBL


Assay Description
Inhibition of human GST-Cdc25C expressed in Escherichia coli BL21(DE3)


Eur J Med Chem 42: 243-7 (2007)


Article DOI: 10.1016/j.ejmech.2006.09.014
BindingDB Entry DOI: 10.7270/Q29Z94J9
More data for this
Ligand-Target Pair
Cdc25C


(Homo sapiens (Human))
BDBM50197854
PNG
(3-(4-heptadecyl-2,5-dioxo-2,5-dihydrofuran-3-yl)pr...)
Show SMILES CCCCCCCCCCCCCCCCCC1=C(CCC(O)=O)C(=O)OC1=O
Show InChI InChI=1S/C24H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21(18-19-22(25)26)24(28)29-23(20)27/h2-19H2,1H3,(H,25,26)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25C


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
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251716
PNG
(CHEMBL4097300)
Show SMILES O=C1C=CC(=O)c2c1ccc1c3ccc4ccccc4c3[nH]c(=O)c21
Show InChI InChI=1S/C21H11NO3/c23-16-9-10-17(24)18-15(16)8-7-13-14-6-5-11-3-1-2-4-12(11)20(14)22-21(25)19(13)18/h1-10H,(H,22,25)
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n/an/a 4.37E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251725
PNG
(CHEMBL4066281)
Show SMILES Fc1ccc2c(c1)[nH]c(=O)c1c3C(=O)C=CC(=O)c3ccc21
Show InChI InChI=1S/C17H8FNO3/c18-8-1-2-9-10-3-4-11-13(20)5-6-14(21)15(11)16(10)17(22)19-12(9)7-8/h1-7H,(H,19,22)
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n/an/a 4.46E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251709
PNG
(CHEMBL4094844)
Show SMILES Fc1ccc2[nH]c(=O)c3c4C(=O)C=CC(=O)c4ccc3c2c1
Show InChI InChI=1S/C17H8FNO3/c18-8-1-4-12-11(7-8)9-2-3-10-13(20)5-6-14(21)15(10)16(9)17(22)19-12/h1-7H,(H,19,22)
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n/an/a 4.67E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair
Cdc25C


(Homo sapiens (Human))
BDBM50370437
PNG
(BN-82002 | CHEMBL1258871)
Show SMILES COc1cc(cc(CN(C)CCc2ccc(cc2)[N+]([O-])=O)c1C)N(C)C
Show InChI InChI=1S/C20H27N3O3/c1-15-17(12-19(21(2)3)13-20(15)26-5)14-22(4)11-10-16-6-8-18(9-7-16)23(24)25/h6-9,12-13H,10-11,14H2,1-5H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory concentration for human cell division cycle 25 degree C phosphatase


Bioorg Med Chem Lett 14: 5809-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.041
BindingDB Entry DOI: 10.7270/Q2H41S67
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251710
PNG
(CHEMBL4082819)
Show SMILES Clc1ccc2c(c1)[nH]c(=O)c1c3C(=O)C=CC(=O)c3ccc21
Show InChI InChI=1S/C17H8ClNO3/c18-8-1-2-9-10-3-4-11-13(20)5-6-14(21)15(11)16(10)17(22)19-12(9)7-8/h1-7H,(H,19,22)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair
Cdc25C


(Homo sapiens (Human))
BDBM50155599
PNG
(4-Dimethylamino-2-({methyl-[2-(4-nitro-phenyl)-eth...)
Show SMILES CN(C)c1ccc(O)c(CN(C)CCc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C18H23N3O3/c1-19(2)17-8-9-18(22)15(12-17)13-20(3)11-10-14-4-6-16(7-5-14)21(23)24/h4-9,12,22H,10-11,13H2,1-3H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory concentration for human cell division cycle 25 degree C phosphatase


Bioorg Med Chem Lett 14: 5809-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.041
BindingDB Entry DOI: 10.7270/Q2H41S67
More data for this
Ligand-Target Pair
Cdc25C


(Homo sapiens (Human))
BDBM50197848
PNG
(3-(4-tridecyl-2,5-dioxo-2,5-dihydrofuran-3-yl)prop...)
Show SMILES CCCCCCCCCCCCCC1=C(CCC(O)=O)C(=O)OC1=O
Show InChI InChI=1S/C20H32O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-17(14-15-18(21)22)20(24)25-19(16)23/h2-15H2,1H3,(H,21,22)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Université Paul Verlaine-Metz

Curated by ChEMBL


Assay Description
Inhibition of human GST-Cdc25C expressed in Escherichia coli BL21(DE3)


Eur J Med Chem 42: 243-7 (2007)


Article DOI: 10.1016/j.ejmech.2006.09.014
BindingDB Entry DOI: 10.7270/Q29Z94J9
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251708
PNG
(CHEMBL4067408)
Show SMILES Clc1ccc2[nH]c(=O)c3c4C(=O)C=CC(=O)c4ccc3c2c1
Show InChI InChI=1S/C17H8ClNO3/c18-8-1-4-12-11(7-8)9-2-3-10-13(20)5-6-14(21)15(10)16(9)17(22)19-12/h1-7H,(H,19,22)
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n/an/a 5.72E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair
Cdc25C


(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 6.50E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human cell division cycle 25 degree C


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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