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PubMed code 8691459

Compile data set for download or QSAR
Found 24 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
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50034220
PNG
(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Show SMILES CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
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PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 25 (Cdc25) phosphatase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50051809
PNG
((N-methylmorpholino)ethanol hexadecyl phosphonate ...)
Show SMILES CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCOCC1
Show InChI InChI=1S/C23H48NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-28-30(25,26)29-23-19-24(2)17-21-27-22-18-24/h3-23H2,1-2H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 25 (Cdc25) phosphatase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50051810
PNG
((N-methylpiperidino)ethanol 2-(hexadecyloxy)ethyl ...)
Show SMILES C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCCCCCOC=C)CCCCC1
Show InChI InChI=1S/C26H52NO5P/c1-3-30-24-19-14-12-10-8-6-4-5-7-9-11-13-15-20-25-31-33(28,29)32-26-23-27(2)21-17-16-18-22-27/h3H,1,4-26H2,2H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 25 (Cdc25) phosphatase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50051808
PNG
((N-methylmorpholino)ethanol dodecyl phosphonate | ...)
Show SMILES CCCCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCOCC1
Show InChI InChI=1S/C21H44NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-26-28(23,24)27-21-17-22(2)15-19-25-20-16-22/h3-21H2,1-2H3
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n/an/a 2.90E+5n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 25 (Cdc25) phosphatase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50051815
PNG
((N-methylpiperidino)ethanol 2-(tetradecyloxy)ethyl...)
Show SMILES C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCCCOC=C)CCCCC1
Show InChI InChI=1S/C24H48NO5P/c1-3-28-22-17-12-10-8-6-4-5-7-9-11-13-18-23-29-31(26,27)30-24-21-25(2)19-15-14-16-20-25/h3H,1,4-24H2,2H3
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n/an/a 3.00E+5n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 25 (Cdc25) phosphatase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50051811
PNG
((N-methylmorpholino)ethanol 2-(tetradecycloxy)ethy...)
Show SMILES C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCCCOC=C)CCOCC1
Show InChI InChI=1S/C23H46NO6P/c1-3-27-19-14-12-10-8-6-4-5-7-9-11-13-15-20-29-31(25,26)30-23-18-24(2)16-21-28-22-17-24/h3H,1,4-23H2,2H3
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n/an/a 3.80E+5n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 25 (Cdc25) phosphatase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50051816
PNG
((N-methylpiperidino)ethanol hexadecyl phosphonate ...)
Show SMILES CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCCCC1
Show InChI InChI=1S/C24H50NO4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-28-30(26,27)29-24-22-25(2)20-17-16-18-21-25/h3-24H2,1-2H3
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n/an/a 4.60E+5n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 25 (Cdc25) phosphatase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50051813
PNG
((N-methylpiperidino)ethanol tetradecyl phosphonate...)
Show SMILES CCCCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCCCC1
Show InChI InChI=1S/C22H46NO4P/c1-3-4-5-6-7-8-9-10-11-12-13-17-21-26-28(24,25)27-22-20-23(2)18-15-14-16-19-23/h3-22H2,1-2H3
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n/an/a 4.90E+5n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 25 (Cdc25) phosphatase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50051806
PNG
((N-methylmorpholino)ethanol dodecyl phosphonate | ...)
Show SMILES CCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCOCC1
Show InChI InChI=1S/C19H40NO5P/c1-3-4-5-6-7-8-9-10-11-12-16-24-26(21,22)25-19-15-20(2)13-17-23-18-14-20/h3-19H2,1-2H3
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n/an/a 5.00E+5n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 25 (Cdc25) phosphatase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50051814
PNG
((N-methylmorpholino)ethanol 2-(dodecyloxy)ethyl ph...)
Show SMILES C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCOC=C)CCOCC1
Show InChI InChI=1S/C21H42NO6P/c1-3-25-17-12-10-8-6-4-5-7-9-11-13-18-27-29(23,24)28-21-16-22(2)14-19-26-20-15-22/h3H,1,4-21H2,2H3
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n/an/a 6.10E+5n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 25 (Cdc25) phosphatase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50051813
PNG
((N-methylpiperidino)ethanol tetradecyl phosphonate...)
Show SMILES CCCCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCCCC1
Show InChI InChI=1S/C22H46NO4P/c1-3-4-5-6-7-8-9-10-11-12-13-17-21-26-28(24,25)27-22-20-23(2)18-15-14-16-19-23/h3-22H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 2 (cdc2) kinase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50051814
PNG
((N-methylmorpholino)ethanol 2-(dodecyloxy)ethyl ph...)
Show SMILES C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCOC=C)CCOCC1
Show InChI InChI=1S/C21H42NO6P/c1-3-25-17-12-10-8-6-4-5-7-9-11-13-18-27-29(23,24)28-21-16-22(2)14-19-26-20-15-22/h3H,1,4-21H2,2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 2 (cdc2) kinase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50051812
PNG
((N-methylpiperidino)ethanol dodecyl phosphonate | ...)
Show SMILES CCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCCCC1
Show InChI InChI=1S/C20H42NO4P/c1-3-4-5-6-7-8-9-10-11-15-19-24-26(22,23)25-20-18-21(2)16-13-12-14-17-21/h3-20H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 2 (cdc2) kinase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50051809
PNG
((N-methylmorpholino)ethanol hexadecyl phosphonate ...)
Show SMILES CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCOCC1
Show InChI InChI=1S/C23H48NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-28-30(25,26)29-23-19-24(2)17-21-27-22-18-24/h3-23H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 2 (cdc2) kinase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50034220
PNG
(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Show SMILES CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 2 (cdc2) kinase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50051808
PNG
((N-methylmorpholino)ethanol dodecyl phosphonate | ...)
Show SMILES CCCCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCOCC1
Show InChI InChI=1S/C21H44NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-26-28(23,24)27-21-17-22(2)15-19-25-20-16-22/h3-21H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 2 (cdc2) kinase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50051815
PNG
((N-methylpiperidino)ethanol 2-(tetradecyloxy)ethyl...)
Show SMILES C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCCCOC=C)CCCCC1
Show InChI InChI=1S/C24H48NO5P/c1-3-28-22-17-12-10-8-6-4-5-7-9-11-13-18-23-29-31(26,27)30-24-21-25(2)19-15-14-16-20-25/h3H,1,4-24H2,2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 2 (cdc2) kinase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50051807
PNG
((N-methylmorpholino)ethanol 2-(hexadecyloxy)ethyl ...)
Show SMILES C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCCCCCOC=C)CCOCC1
Show InChI InChI=1S/C25H50NO6P/c1-3-29-21-16-14-12-10-8-6-4-5-7-9-11-13-15-17-22-31-33(27,28)32-25-20-26(2)18-23-30-24-19-26/h3H,1,4-25H2,2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 2 (cdc2) kinase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50051806
PNG
((N-methylmorpholino)ethanol dodecyl phosphonate | ...)
Show SMILES CCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCOCC1
Show InChI InChI=1S/C19H40NO5P/c1-3-4-5-6-7-8-9-10-11-12-16-24-26(21,22)25-19-15-20(2)13-17-23-18-14-20/h3-19H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 2 (cdc2) kinase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50051812
PNG
((N-methylpiperidino)ethanol dodecyl phosphonate | ...)
Show SMILES CCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCCCC1
Show InChI InChI=1S/C20H42NO4P/c1-3-4-5-6-7-8-9-10-11-15-19-24-26(22,23)25-20-18-21(2)16-13-12-14-17-21/h3-20H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 25 (Cdc25) phosphatase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50051811
PNG
((N-methylmorpholino)ethanol 2-(tetradecycloxy)ethy...)
Show SMILES C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCCCOC=C)CCOCC1
Show InChI InChI=1S/C23H46NO6P/c1-3-27-19-14-12-10-8-6-4-5-7-9-11-13-15-20-29-31(25,26)30-23-18-24(2)16-21-28-22-17-24/h3H,1,4-23H2,2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 2 (cdc2) kinase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50051816
PNG
((N-methylpiperidino)ethanol hexadecyl phosphonate ...)
Show SMILES CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCCCC1
Show InChI InChI=1S/C24H50NO4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-28-30(26,27)29-24-22-25(2)20-17-16-18-21-25/h3-24H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 2 (cdc2) kinase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50051807
PNG
((N-methylmorpholino)ethanol 2-(hexadecyloxy)ethyl ...)
Show SMILES C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCCCCCOC=C)CCOCC1
Show InChI InChI=1S/C25H50NO6P/c1-3-29-21-16-14-12-10-8-6-4-5-7-9-11-13-15-17-22-31-33(27,28)32-25-20-26(2)18-23-30-24-19-26/h3H,1,4-25H2,2H3
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MMDB

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n/an/a 1.00E+6n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 25 (Cdc25) phosphatase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50051810
PNG
((N-methylpiperidino)ethanol 2-(hexadecyloxy)ethyl ...)
Show SMILES C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCCCCCOC=C)CCCCC1
Show InChI InChI=1S/C26H52NO5P/c1-3-30-24-19-14-12-10-8-6-4-5-7-9-11-13-15-20-25-31-33(28,29)32-26-23-27(2)21-17-16-18-22-27/h3H,1,4-26H2,2H3
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 2 (cdc2) kinase


J Med Chem 39: 2609-14 (1996)


Article DOI: 10.1021/jm9509152
BindingDB Entry DOI: 10.7270/Q2G15ZXW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%