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Compile Data Set for Download or QSAR

Found 338 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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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))
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


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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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))
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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))
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


Citation and Details
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


Citation and Details
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))
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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))
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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))
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


Citation and Details
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...


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
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