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PubMed code 9822537

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



University of Arizona

Curated by ChEMBL


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


J Med Chem 41: 4677-80 (1998)


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


(Homo sapiens (Human))
BDBM50068037
PNG
(5-(Benzoyl-{2-[(2,5-diphenyl-oxazole-4-carbonyl)-a...)
Show SMILES CCCCCCCCCC(=O)NC(CCC(=O)N(CCNC(=O)c1nc(oc1-c1ccccc1)-c1ccccc1)C(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C40H46N4O7/c1-2-3-4-5-6-7-17-24-33(45)42-32(40(49)50)25-26-34(46)44(39(48)31-22-15-10-16-23-31)28-27-41-37(47)35-36(29-18-11-8-12-19-29)51-38(43-35)30-20-13-9-14-21-30/h8-16,18-23,32H,2-7,17,24-28H2,1H3,(H,41,47)(H,42,45)(H,49,50)
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n/an/a 4.00E+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 p-nitrophenylphosphate as substrate


J Med Chem 41: 4677-80 (1998)


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


(Homo sapiens (Human))
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



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Cdc25A phosphatase by using p-nitrophenylphosphate as substrate


J Med Chem 41: 4677-80 (1998)


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


(Homo sapiens (Human))
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



University of Arizona

Curated by ChEMBL


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


J Med Chem 41: 4677-80 (1998)


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


(Homo sapiens (Human))
BDBM50068036
PNG
((Z)-5-[(3R,3aR,5aS,6S,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 1.33E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


J Med Chem 41: 4677-80 (1998)


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


(Homo sapiens (Human))
BDBM50068037
PNG
(5-(Benzoyl-{2-[(2,5-diphenyl-oxazole-4-carbonyl)-a...)
Show SMILES CCCCCCCCCC(=O)NC(CCC(=O)N(CCNC(=O)c1nc(oc1-c1ccccc1)-c1ccccc1)C(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C40H46N4O7/c1-2-3-4-5-6-7-17-24-33(45)42-32(40(49)50)25-26-34(46)44(39(48)31-22-15-10-16-23-31)28-27-41-37(47)35-36(29-18-11-8-12-19-29)51-38(43-35)30-20-13-9-14-21-30/h8-16,18-23,32H,2-7,17,24-28H2,1H3,(H,41,47)(H,42,45)(H,49,50)
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


J Med Chem 41: 4677-80 (1998)


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


(Homo sapiens (Human))
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



University of Arizona

Curated by ChEMBL


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


J Med Chem 41: 4677-80 (1998)


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


(Homo sapiens (Human))
BDBM50408665
PNG
(CHEMBL2111995)
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#C
Show InChI InChI=1S/C28H44O2/c1-7-8-9-10-13-21(4)23-17-18-28(6)25(22(5)14-11-12-20(2)3)15-16-26(28)24(23)19-27(29)30/h1,8-9,13,20,22-26H,10-12,14-19H2,2-6H3,(H,29,30)/b9-8-,21-13-/t22?,23-,24-,25-,26+,28-/m1/s1
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n/an/a 3.63E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


J Med Chem 41: 4677-80 (1998)


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


(Homo sapiens (Human))
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>5.00E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


J Med Chem 41: 4677-80 (1998)


Article DOI: 10.1021/jm980500r
BindingDB Entry DOI: 10.7270/Q2PC31JB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%