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Compile Data Set for Download or QSAR

Found 348 hits Enz. Inhib. hit(s) with Target = 'phosphatase Cdc25'   
Target
(Institution)
LigandTarget
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))
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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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

Assay Description
Inhibition of CDC25A in presence of 2 mM DTT


Citation and Details
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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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 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)

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)

More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50129585
PNG
(3-(7-Benzyl-1H-indol-3-yl)-2,5-dihydroxy-[1,4]benz...)
Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3c(Cc4ccccc4)cccc23)C1=O
Show InChI InChI=1S/C21H15NO4/c23-16-10-17(24)21(26)18(20(16)25)15-11-22-19-13(7-4-8-14(15)19)9-12-5-2-1-3-6-12/h1-8,11,18,22H,9-10H2
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n/an/a 2.30E+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)

More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50297584
PNG
(CHEMBL550614 | N-(3-(3-aminophenylamino)quinoxalin...)
Show SMILES Nc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C20H16ClN5O2S/c21-13-8-10-16(11-9-13)29(27,28)26-20-19(23-15-5-3-4-14(22)12-15)24-17-6-1-2-7-18(17)25-20/h1-12H,22H2,(H,23,24)(H,25,26)
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n/an/a 2.30E+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)

More data for this
Ligand-Target Pair
phosphatase Cdc25


(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 2.40E+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)

More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50097539
PNG
(CHEMBL354578 | [5-(5-Cyano-1-methyl-pent-1-enyl)-1...)
Show SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)C(\C)=C/CCCC#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/h11,19,21-25H,6-10,12-16,18H2,1-5H3,(H,29,30)/b20-11-/t21?,22-,23-,24-,25+,27-/m1/s1
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n/an/a 2.40E+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)

More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM28879
PNG
(2-[(5Z)-5-[(3-{4-[(4-chlorophenyl)methoxy]phenyl}-...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22ClN3O5S3/c29-22-10-6-19(7-11-22)18-37-24-12-8-20(9-13-24)26-21(17-32(30-26)23-4-2-1-3-5-23)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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n/an/a 2.40E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdc25a


J Med Chem 52: 6716-23 (2009)

More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50129572
PNG
(3-(1H-Benzo[g]indol-3-yl)-2,5-dihydroxy-[1,4]benzo...)
Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3c2ccc2ccccc32)C1=O
Show InChI InChI=1S/C18H11NO4/c20-13-7-14(21)18(23)15(17(13)22)12-8-19-16-10-4-2-1-3-9(10)5-6-11(12)16/h1-6,8,15,19H,7H2
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n/an/a 2.50E+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)

More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50129577
PNG
(2,5-Dihydroxy-3-(7-phenyl-1H-indol-3-yl)-[1,4]benz...)
Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3c(cccc23)-c2ccccc2)C1=O
Show InChI InChI=1S/C20H13NO4/c22-15-9-16(23)20(25)17(19(15)24)14-10-21-18-12(7-4-8-13(14)18)11-5-2-1-3-6-11/h1-8,10,17,21H,9H2
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n/an/a 2.50E+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)

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)

More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50289900
PNG
(CHEMBL303581 | Sulfuric acid mono-[5-furan-3-yl-1-...)
Show SMILES CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC(CCCCc1ccoc1)OS(O)(=O)=O
Show InChI InChI=1S/C24H38O5S/c1-18-10-11-22-23(2,3)13-7-14-24(22,4)21(18)16-20(29-30(25,26)27)9-6-5-8-19-12-15-28-17-19/h10,12,15,17,20-22H,5-9,11,13-14,16H2,1-4H3,(H,25,26,27)/t20?,21-,22-,24+/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for its inhibitory activity against Cdc25A phosphatase


Bioorg Med Chem Lett 7: 2015-2020 (1997)

More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50289900
PNG
(CHEMBL303581 | Sulfuric acid mono-[5-furan-3-yl-1-...)
Show SMILES CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC(CCCCc1ccoc1)OS(O)(=O)=O
Show InChI InChI=1S/C24H38O5S/c1-18-10-11-22-23(2,3)13-7-14-24(22,4)21(18)16-20(29-30(25,26)27)9-6-5-8-19-12-15-28-17-19/h10,12,15,17,20-22H,5-9,11,13-14,16H2,1-4H3,(H,25,26,27)/t20?,21-,22-,24+/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for its inhibitory activity against Cdc25A phosphatase


Bioorg Med Chem Lett 7: 2015-2020 (1997)

More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50303174
PNG
(2-(5-((3-(4-(2-fluorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3F)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22FN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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n/an/a 2.80E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdc25a


J Med Chem 52: 6716-23 (2009)

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)

More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50297586
PNG
(CHEMBL557129 | N-(1-benzyl-3-cyano-1H-pyrrolo[3,2-...)
Show SMILES O=S(=O)(Nc1c(C#N)c2nc3ccccc3nc2n1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H17N5O2S/c25-15-19-22-24(27-21-14-8-7-13-20(21)26-22)29(16-17-9-3-1-4-10-17)23(19)28-32(30,31)18-11-5-2-6-12-18/h1-14,28H,16H2
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n/an/a 2.90E+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)

More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50097526
PNG
(CHEMBL172392 | [5-(5-Cyano-4-ethoxy-1-methylene-pe...)
Show SMILES CCOC(CCC(=C)[C@H]1CC[C@]2(C)[C@H](CC[C@H]2[C@@H]1CC(O)=O)C(C)CCCC(C)C)CC#N
Show InChI InChI=1S/C29H49NO3/c1-7-33-23(16-18-30)12-11-21(4)24-15-17-29(6)26(22(5)10-8-9-20(2)3)13-14-27(29)25(24)19-28(31)32/h20,22-27H,4,7-17,19H2,1-3,5-6H3,(H,31,32)/t22?,23?,24-,25-,26-,27+,29-/m1/s1
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n/an/a 2.90E+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)

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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n/an/a 3.15E+3n/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)

More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50237953
PNG
(2-(4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-y...)
Show SMILES Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1CC=C
Show InChI InChI=1S/C19H16ClN3O3S/c1-2-8-23-18(13-4-3-5-14(20)9-13)21-22-19(23)27-11-17(26)12-6-7-15(24)16(25)10-12/h2-7,9-10,24-25H,1,8,11H2
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n/an/a 3.28E+3n/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)

More data for this
Ligand-Target Pair
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