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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50040067   
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 3


(Homo sapiens (Human))
BDBM50388812
PNG
(CHEMBL2062707)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccc(O)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(26-27(32)25(21-30)34-28(26)33)29-20-22-16-18-23(31)19-17-22/h16-19,25,29-31H,2-15,20-21H2,1H3
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n/an/a 4.41E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25C


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50388817
PNG
(CHEMBL2062711)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1F)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H42FNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24(26-27(32)25(21-31)34-28(26)33)30-20-22-17-15-16-18-23(22)29/h15-18,25,30-31H,2-14,19-21H2,1H3
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n/an/a 4.71E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25C


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50388809
PNG
(CHEMBL2062597)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccc(C)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C29H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(27-28(32)26(22-31)34-29(27)33)30-21-24-19-17-23(2)18-20-24/h17-20,26,30-31H,3-16,21-22H2,1-2H3
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n/an/a 5.67E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25C


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50388823
PNG
(CHEMBL2062593)
Show SMILES CCCCCCCCCCCCCCCC(NCc1cccc(F)c1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H42FNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24(26-27(32)25(21-31)34-28(26)33)30-20-22-16-15-17-23(29)19-22/h15-17,19,25,30-31H,2-14,18,20-21H2,1H3
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n/an/a 7.82E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25C


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50388808
PNG
(CHEMBL2062596)
Show SMILES CCCCCCCCCCCCCCCC(NCc1cccc(c1)N(C)C)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C30H48N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26(28-29(34)27(23-33)36-30(28)35)31-22-24-18-17-19-25(21-24)32(2)3/h17-19,21,27,31,33H,4-16,20,22-23H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25C


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50388810
PNG
(CHEMBL2062598)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccc(Cl)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H42ClNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(26-27(32)25(21-31)34-28(26)33)30-20-22-16-18-23(29)19-17-22/h16-19,25,30-31H,2-15,20-21H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25C


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50388811
PNG
(CHEMBL2062599)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccc(F)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H42FNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(26-27(32)25(21-31)34-28(26)33)30-20-22-16-18-23(29)19-17-22/h16-19,25,30-31H,2-15,20-21H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25C


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50388813
PNG
(CHEMBL2062708)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccc(OC)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C29H45NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(27-28(32)26(22-31)35-29(27)33)30-21-23-17-19-24(34-2)20-18-23/h17-20,26,30-31H,3-16,21-22H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25C


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50388814
PNG
(CHEMBL2062709)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccc(cc1)N(C)C)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C30H48N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(28-29(34)27(23-33)36-30(28)35)31-22-24-18-20-25(21-19-24)32(2)3/h18-21,27,31,33H,4-17,22-23H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25C


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50388815
PNG
(CHEMBL2062528)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1C)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C29H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25(27-28(32)26(22-31)34-29(27)33)30-21-24-19-17-16-18-23(24)2/h16-19,26,30-31H,3-15,20-22H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25C


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50388816
PNG
(CHEMBL2062710)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1Cl)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H42ClNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24(26-27(32)25(21-31)34-28(26)33)30-20-22-17-15-16-18-23(22)29/h15-18,25,30-31H,2-14,19-21H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25C


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50388818
PNG
(CHEMBL2062712)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(26-27(32)25(21-30)34-28(26)33)29-20-22-17-15-16-19-24(22)31/h15-17,19,25,29-31H,2-14,18,20-21H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25C


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50388819
PNG
(CHEMBL2062713)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1OC)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C29H45NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(27-28(32)26(22-31)35-29(27)33)30-21-23-18-16-17-20-25(23)34-2/h16-18,20,26,30-31H,3-15,19,21-22H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25C


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50388820
PNG
(CHEMBL2062714)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1N(C)C)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C30H48N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25(28-29(34)27(23-33)36-30(28)35)31-22-24-19-17-18-21-26(24)32(2)3/h17-19,21,27,31,33H,4-16,20,22-23H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25C


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50388825
PNG
(CHEMBL2062595)
Show SMILES CCCCCCCCCCCCCCCC(NCc1cccc(OC)c1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C29H45NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25(27-28(32)26(22-31)35-29(27)33)30-21-23-17-16-18-24(20-23)34-2/h16-18,20,26,30-31H,3-15,19,21-22H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25C


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50388824
PNG
(CHEMBL2062594)
Show SMILES CCCCCCCCCCCCCCCC(NCc1cccc(O)c1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24(26-27(32)25(21-30)34-28(26)33)29-20-22-16-15-17-23(31)19-22/h15-17,19,25,29-31H,2-14,18,20-21H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25C


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50388822
PNG
(CHEMBL2062592)
Show SMILES CCCCCCCCCCCCCCCC(NCc1cccc(Cl)c1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H42ClNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24(26-27(32)25(21-31)34-28(26)33)30-20-22-16-15-17-23(29)19-22/h15-17,19,25,30-31H,2-14,18,20-21H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25C


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50388807
PNG
(CHEMBL2062590)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(29-21-23-18-15-14-16-19-23)26-27(31)25(22-30)33-28(26)32/h14-16,18-19,25,29-30H,2-13,17,20-22H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25C


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50388821
PNG
(CHEMBL2062591)
Show SMILES CCCCCCCCCCCCCCCC(NCc1cccc(C)c1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C29H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25(27-28(32)26(22-31)34-29(27)33)30-21-24-18-16-17-23(2)20-24/h16-18,20,26,30-31H,3-15,19,21-22H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25C


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair