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PubMed code 11262093

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
phosphatase Cdc25


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



School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
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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School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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


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



School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
BDBM50097530
PNG
(CHEMBL168868 | [5-(5-Cyano-1-methyl-pentyl)-1-(1,5...)
Show SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)C(C)CCCCC#N
Show InChI InChI=1S/C27H47NO2/c1-19(2)10-9-12-21(4)24-13-14-25-23(18-26(29)30)22(15-16-27(24,25)5)20(3)11-7-6-8-17-28/h19-25H,6-16,18H2,1-5H3,(H,29,30)/t20?,21?,22-,23-,24-,25+,27-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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


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



School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm0004401
BindingDB Entry DOI: 10.7270/Q2C82B14
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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School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm0004401
BindingDB Entry DOI: 10.7270/Q2C82B14
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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School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
BDBM50097534
PNG
(5-[3-(1,5-Dimethyl-hexyl)-3a,6-dimethyl-8-oxo-dode...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)O[C@](C)(CCCCC(O)=O)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O4/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(30)31-27(5,15-7-6-11-24(28)29)23(20)14-16-26(21,22)4/h18-23H,6-17H2,1-5H3,(H,28,29)/t19-,20+,21-,22+,23+,26-,27-/m1/s1
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School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
BDBM50097540
PNG
(CHEMBL434693 | [1-(1,5-Dimethyl-hexyl)-7a-methyl-5...)
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@@]1(C)CC=CCC1=O
Show InChI InChI=1S/C27H44O3/c1-18(2)9-8-10-19(3)21-12-13-22-20(17-25(29)30)23(14-16-26(21,22)4)27(5)15-7-6-11-24(27)28/h6-7,18-23H,8-17H2,1-5H3,(H,29,30)/t19-,20+,21-,22+,23+,26-,27-/m1/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
BDBM50097544
PNG
(CHEMBL169414 | [1-(1,5-Dimethyl-hexyl)-7a-methyl-5...)
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@@]1(C)CCCCC1=O
Show InChI InChI=1S/C27H46O3/c1-18(2)9-8-10-19(3)21-12-13-22-20(17-25(29)30)23(14-16-26(21,22)4)27(5)15-7-6-11-24(27)28/h18-23H,6-17H2,1-5H3,(H,29,30)/t19-,20+,21-,22+,23+,26-,27-/m1/s1
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School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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



School of Chemistry and Biochemistry

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
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50097546
PNG
(Sulfuric acidmono-{5-furan-3-yl-2-methyl-1-[1-(2,5...)
Show SMILES C[C@H](CCCc1ccoc1)[C@@H](OS([O-])(=O)=O)C(C)[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C
Show InChI InChI=1S/C26H42O5S/c1-18-11-12-22-25(4,5)14-8-15-26(22,6)23(18)20(3)24(31-32(27,28)29)19(2)9-7-10-21-13-16-30-17-21/h11,13,16-17,19-20,22-24H,7-10,12,14-15H2,1-6H3,(H,27,28,29)/p-1/t19-,20?,22+,23-,24-,26+/m1/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


Article DOI: 10.1021/jm0004401
BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
CDC45-related protein


(Homo sapiens)
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 8.60E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against human cell division cycle 45-like 2


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
Tyrosine-Protein Phosphatase (CD45)


(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 9.10E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human CD45 Phosphatase (assay using fluorescein diphosphate (FDP) as substrate)


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
BDBM50097543
PNG
(CHEMBL165813 | [5-(4-Acetoxy-1-methyl-2-oxo-cycloh...)
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@@]1(C)CCC(CC1=O)OC(C)=O
Show InChI InChI=1S/C29H48O5/c1-18(2)8-7-9-19(3)23-10-11-24-22(17-27(32)33)25(13-15-28(23,24)5)29(6)14-12-21(16-26(29)31)34-20(4)30/h18-19,21-25H,7-17H2,1-6H3,(H,32,33)/t19-,21?,22+,23-,24+,25+,28-,29-/m1/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
BDBM50341997
PNG
(CHEMBL1765353 | Dysidiolide)
Show SMILES C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CCCC(C)=C)[C@]1(C)C[C@@H](O)C1=CC(=O)O[C@H]1O
Show InChI InChI=1S/C25H38O4/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/h11,14,17,20-21,23,26,28H,1,6-10,12-13,15H2,2-5H3/t17-,20-,21-,23-,24-,25-/m1/s1
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n/an/a 9.40E+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)


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


(Homo sapiens (Human))
BDBM50097538
PNG
(CHEMBL171486 | [1-(1,5-Dimethyl-hexyl)-7a-methyl-5...)
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@@]1(C)CCC=CC1=O
Show InChI InChI=1S/C27H44O3/c1-18(2)9-8-10-19(3)21-12-13-22-20(17-25(29)30)23(14-16-26(21,22)4)27(5)15-7-6-11-24(27)28/h6,11,18-23H,7-10,12-17H2,1-5H3,(H,29,30)/t19-,20+,21-,22+,23+,26-,27-/m1/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
BDBM50068032
PNG
(CHEMBL358731 | [(1R,3aS,4R,5S,7aR)-5-((Z)-5-Cyano-...)
Show SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)C(=C)CC\C=C/C#N
Show InChI InChI=1S/C27H43NO2/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/h6,8,19,21-25H,3,7,9-16,18H2,1-2,4-5H3,(H,29,30)/b8-6-/t21?,22-,23-,24-,25+,27-/m1/s1
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n/an/a 9.70E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
BDBM50097527
PNG
(5-[3-(1,5-Dimethyl-hexyl)-3a,6-dimethyl-8-oxo-dode...)
Show SMILES COC(CC[C@@]1(C)OC(=O)C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]12)CC#N
Show InChI InChI=1S/C28H47NO3/c1-19(2)8-7-9-20(3)23-10-11-24-22-18-26(30)32-28(5,16-12-21(31-6)14-17-29)25(22)13-15-27(23,24)4/h19-25H,7-16,18H2,1-6H3/t20-,21?,22+,23-,24+,25+,27-,28-/m1/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
BDBM50097534
PNG
(5-[3-(1,5-Dimethyl-hexyl)-3a,6-dimethyl-8-oxo-dode...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)O[C@](C)(CCCCC(O)=O)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O4/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(30)31-27(5,15-7-6-11-24(28)29)23(20)14-16-26(21,22)4/h18-23H,6-17H2,1-5H3,(H,28,29)/t19-,20+,21-,22+,23+,26-,27-/m1/s1
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n/an/a 1.16E+4n/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 p-nitro phenyl phosphate (pNPP) as substrate)


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
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 1.17E+4n/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 p-nitro phenyl phosphate (pNPP) as substrate)


J Med Chem 44: 834-48 (2001)


Article DOI: 10.1021/jm0004401
BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
CDC45-related protein


(Homo sapiens)
BDBM50097537
PNG
(CHEMBL262776 | [5-(5-Cyanomethyl-2-methyl-tetrahyd...)
Show SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](CC#N)O1
Show InChI InChI=1S/C27H45NO3/c1-18(2)7-6-8-19(3)22-9-10-23-21(17-25(29)30)24(12-14-26(22,23)4)27(5)15-11-20(31-27)13-16-28/h18-24H,6-15,17H2,1-5H3,(H,29,30)/t19?,20-,21-,22+,23-,24-,26+,27+/m0/s1
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n/an/a 1.58E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against human cell division cycle 45-like 2


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
BDBM50068034
PNG
(CHEMBL344058 | [(1R,3aS,4R,5S,7aR)-5-((1E,4Z)-5-Cy...)
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\C\C=C/C#N
Show InChI InChI=1S/C27H43NO2/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/h6,8,11,19,21-25H,7,9-10,12-16,18H2,1-5H3,(H,29,30)/b8-6-,20-11+/t21?,22-,23-,24-,25+,27-/m1/s1
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n/an/a 2.42E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
BDBM50068033
PNG
((Z)-5-[(3R,3aR,5aS,6R,9aS,9bS)-3-(1,5-Dimethyl-hex...)
Show SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC(=O)O[C@](C)(CC\C=C/C#N)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H43NO2/c1-19(2)10-9-11-20(3)22-12-13-23-21-18-25(29)30-27(5,15-7-6-8-17-28)24(21)14-16-26(22,23)4/h6,8,19-24H,7,9-16,18H2,1-5H3/b8-6-/t20?,21-,22+,23-,24-,26+,27+/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
BDBM50097531
PNG
(CHEMBL170219 | [5-(5-Cyano-1-methyl-penta-1,4-dien...)
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/C\C=C/C#N
Show InChI InChI=1S/C27H43NO2/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/h6,8,11,19,21-25H,7,9-10,12-16,18H2,1-5H3,(H,29,30)/b8-6-,20-11-/t21?,22-,23-,24-,25+,27-/m1/s1
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n/an/a 3.63E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
BDBM50279774
PNG
(5-[3-(1,5-Dimethyl-hexyl)-3a,6-dimethyl-8-oxo-dode...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)O[C@@](C)(CC\C=C/C#N)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H43NO2/c1-19(2)10-9-11-20(3)22-12-13-23-21-18-25(29)30-27(5,15-7-6-8-17-28)24(21)14-16-26(22,23)4/h6,8,19-24H,7,9-16,18H2,1-5H3/b8-6-/t20-,21+,22-,23+,24+,26-,27+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
BDBM50097536
PNG
(4-[17-(1,5-Dimethyl-hexyl)-10,13-dimethyl-hexadeca...)
Show SMILES CCOC(=O)CC(=O)CSC(=S)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C34H56O4S2/c1-7-37-31(36)20-25(35)21-40-32(39)38-26-15-17-33(5)24(19-26)11-12-27-29-14-13-28(23(4)10-8-9-22(2)3)34(29,6)18-16-30(27)33/h22-24,26-30H,7-21H2,1-6H3/t23-,24+,26+,27+,28-,29+,30+,33+,34-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


Article DOI: 10.1021/jm0004401
BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
Tyrosine-Protein Phosphatase (CD45)


(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>1.00E+5n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human CD45 Phosphatase (assay using fluorescein diphosphate (FDP) as substrate)


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
BDBM50097545
PNG
(CHEMBL354041 | [17-(1,5-Dimethyl-hexyl)-10,13-dime...)
Show SMILES CCOC(=O)CSC(=S)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C32H54O3S2/c1-7-34-29(33)20-37-30(36)35-24-15-17-31(5)23(19-24)11-12-25-27-14-13-26(22(4)10-8-9-21(2)3)32(27,6)18-16-28(25)31/h21-28H,7-20H2,1-6H3/t22-,23+,24+,25+,26-,27+,28+,31+,32-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
BDBM50097533
PNG
(2-[17-(1,5-Dimethyl-hexyl)-10,13-dimethyl-hexadeca...)
Show SMILES CCOC(=O)C(C)SC(=S)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C33H56O3S2/c1-8-35-30(34)23(5)38-31(37)36-25-16-18-32(6)24(20-25)12-13-26-28-15-14-27(22(4)11-9-10-21(2)3)33(28,7)19-17-29(26)32/h21-29H,8-20H2,1-7H3/t22-,23?,24+,25+,26+,27-,28+,29+,32+,33-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


Article DOI: 10.1021/jm0004401
BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
CDC45-related protein


(Homo sapiens)
BDBM50097534
PNG
(5-[3-(1,5-Dimethyl-hexyl)-3a,6-dimethyl-8-oxo-dode...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)O[C@](C)(CCCCC(O)=O)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O4/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(30)31-27(5,15-7-6-11-24(28)29)23(20)14-16-26(21,22)4/h18-23H,6-17H2,1-5H3,(H,28,29)/t19-,20+,21-,22+,23+,26-,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against human cell division cycle 45-like 2


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
BDBM50097541
PNG
(CHEMBL433913 | 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)SCC(=O)c1ccccc1
Show InChI InChI=1S/C36H54O2S2/c1-24(2)10-9-11-25(3)30-16-17-31-29-15-14-27-22-28(18-20-35(27,4)32(29)19-21-36(30,31)5)38-34(39)40-23-33(37)26-12-7-6-8-13-26/h6-8,12-13,24-25,27-32H,9-11,14-23H2,1-5H3/t25-,27+,28+,29+,30-,31+,32+,35+,36-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


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


J Med Chem 44: 834-48 (2001)


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


(Homo sapiens (Human))
BDBM50068033
PNG
((Z)-5-[(3R,3aR,5aS,6R,9aS,9bS)-3-(1,5-Dimethyl-hex...)
Show SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC(=O)O[C@](C)(CC\C=C/C#N)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H43NO2/c1-19(2)10-9-11-20(3)22-12-13-23-21-18-25(29)30-27(5,15-7-6-8-17-28)24(21)14-16-26(22,23)4/h6,8,19-24H,7,9-16,18H2,1-5H3/b8-6-/t20?,21-,22+,23-,24-,26+,27+/m0/s1
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n/an/a>1.00E+5n/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 p-nitro phenyl phosphate (pNPP) as substrate)


J Med Chem 44: 834-48 (2001)


Article DOI: 10.1021/jm0004401
BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50068033
PNG
((Z)-5-[(3R,3aR,5aS,6R,9aS,9bS)-3-(1,5-Dimethyl-hex...)
Show SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC(=O)O[C@](C)(CC\C=C/C#N)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H43NO2/c1-19(2)10-9-11-20(3)22-12-13-23-21-18-25(29)30-27(5,15-7-6-8-17-28)24(21)14-16-26(22,23)4/h6,8,19-24H,7,9-16,18H2,1-5H3/b8-6-/t20?,21-,22+,23-,24-,26+,27+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human CD45 Phosphatase (assay using fluorescein diphosphate (FDP) as substrate)


J Med Chem 44: 834-48 (2001)


Article DOI: 10.1021/jm0004401
BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%