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Compile Data Set for Download or QSAR

Found 18 hits of ph data with Target = 'phosphatase Cdc25'   
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))
BDBM84495
PNG
(CHEMBL1945189 | Roseophilin, 1)
Show SMILES COc1cc(oc1C1=c2[nH]c3=CCCCCCCC[C@@H]1[C@@H](C(C)C)c2c3)-c1[nH]ccc1Cl
Show InChI InChI=1S/C27H31ClN2O2/c1-16(2)23-18-11-9-7-5-4-6-8-10-17-14-19(23)25(30-17)24(18)27-22(31-3)15-21(32-27)26-20(28)12-13-29-26/h10,12-16,18,23H,4-9,11H2,1-3H3/b17-10?,26-21-,27-24-/t18-,23-/m1/s1
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n/an/a 2.80E+4n/an/an/an/a8.037



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM84512
PNG
(Acyclic analogue, 18)
Show SMILES COC1=CC(=O)N\C1=C/c1ccc(CCCC\C=C\CCCCC(O)=O)[nH]1
Show InChI InChI=1S/C21H28N2O4/c1-27-19-15-20(24)23-18(19)14-17-13-12-16(22-17)10-8-6-4-2-3-5-7-9-11-21(25)26/h2-3,12-15,22H,4-11H2,1H3,(H,23,24)(H,25,26)/b3-2+,18-14-
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n/an/a>5.00E+4n/an/an/an/a8.037



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM84497
PNG
(Roseophilin analogue, 3)
Show SMILES CC(C)[C@@H]1[C@H]2CCCCCCCC=c3cc1c([nH]3)=C2c1ccc(o1)-c1ccc[nH]1
Show InChI InChI=1S/C26H30N2O/c1-17(2)24-19-11-8-6-4-3-5-7-10-18-16-20(24)26(28-18)25(19)23-14-13-22(29-23)21-12-9-15-27-21/h9-10,12-17,19,24H,3-8,11H2,1-2H3/b18-10?,22-21-,25-23-/t19-,24-/m1/s1
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n/an/a>5.00E+4n/an/an/an/a8.037



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM84498
PNG
(3-chloro-2-(5-{1-[(2Z)-2H-pyrrol-2-ylidene]ethyl}f...)
Show SMILES C\C(=C1/C=CC=N1)c1ccc(o1)-c1[nH]ccc1Cl
Show InChI InChI=1S/C14H11ClN2O/c1-9(11-3-2-7-16-11)12-4-5-13(18-12)14-10(15)6-8-17-14/h2-8,17H,1H3/b11-9-
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n/an/a 3.40E+4n/an/an/an/a8.037



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM84499
PNG
(2-(5-{1-[(2Z)-2H-pyrrol-2-ylidene]ethyl}furan-2-yl...)
Show SMILES C\C(=C1/C=CC=N1)c1ccc(o1)-c1ccc[nH]1
Show InChI InChI=1S/C14H12N2O/c1-10(11-4-2-8-15-11)13-6-7-14(17-13)12-5-3-9-16-12/h2-9,16H,1H3/b11-10-
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n/an/a 4.00E+4n/an/an/an/a8.037



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM84500
PNG
(Nonylprodigiosin, 6)
Show SMILES CCC1=CC2=N\C1=C/c1ccc(CCCCCCCCCc3ccc2[nH]3)[nH]1
Show InChI InChI=1S/C24H29N3/c1-2-18-16-24-22-15-14-20(26-22)11-9-7-5-3-4-6-8-10-19-12-13-21(25-19)17-23(18)27-24/h12-17H,2-11H2,1H3/b21-17-,24-22-
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n/an/a>5.00E+4n/an/an/an/a8.037



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM84501
PNG
(Cyclic analogue, 7)
Show SMILES COC1=CC2=N\C1=C/c1ccc(CCCC\C=C\CCCc3ccc2o3)[nH]1
Show InChI InChI=1S/C23H26N2O2/c1-26-23-16-21-22-14-13-19(27-22)10-8-6-4-2-3-5-7-9-17-11-12-18(24-17)15-20(23)25-21/h2,4,11-16,24H,3,5-10H2,1H3/b4-2+,20-15-
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n/an/a>5.00E+4n/an/an/an/a8.037



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM84502
PNG
(Cyclic analogue, 8)
Show SMILES COC1=CC2=N\C1=C/c1ccc(CCCC\C=C\CCCCCCCCCCc3ccc2o3)[nH]1
Show InChI InChI=1S/C30H40N2O2/c1-33-30-23-28-29-21-20-26(34-29)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-24-18-19-25(31-24)22-27(30)32-28/h6,8,18-23,31H,2-5,7,9-17H2,1H3/b8-6+,27-22-
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n/an/a>5.00E+4n/an/an/an/a8.037



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM84503
PNG
(Cyclic analogue, 9)
Show SMILES COC1=CC2=N\C1=C/c1ccc(CCCC\C=C\CCCc3cccc2c3)[nH]1
Show InChI InChI=1S/C25H28N2O/c1-28-25-18-23-20-12-9-11-19(16-20)10-7-5-3-2-4-6-8-13-21-14-15-22(26-21)17-24(25)27-23/h2-3,9,11-12,14-18,26H,4-8,10,13H2,1H3/b3-2+,24-17-
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n/an/a>5.00E+4n/an/an/an/a8.037



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM84504
PNG
(Acyclic analogue, 10)
Show SMILES COC1=CC(=N\C1=C/c1ccc(CCCCC=C)[nH]1)c1ccc(CCCC=C)[nH]1
Show InChI InChI=1S/C25H29N3O/c1-4-6-8-10-12-19-13-14-21(26-19)17-24-25(29-3)18-23(28-24)22-16-15-20(27-22)11-9-7-5-2/h4-5,13-18H,1-2,6-12H2,3H3/b21-17-,23-22-
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n/an/a>5.00E+4n/an/an/an/a8.037



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM84505
PNG
(Acyclic analogue, 11)
Show SMILES COC1=CC(=NC1=Cc1ccc(CCCCC=C)[nH]1)c1ccc([nH]1)C(=O)CCC=C
Show InChI InChI=1S/C25H27N3O2/c1-4-6-8-9-10-18-12-13-19(26-18)16-23-25(30-3)17-22(28-23)20-14-15-21(27-20)24(29)11-7-5-2/h4-5,12-17H,1-2,6-11H2,3H3/b19-16?,22-20-
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n/an/a>5.00E+4n/an/an/an/a8.037



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM84506
PNG
(Acyclic analogue, 12)
Show SMILES COC1=CC(=N\C1=C/c1ccc(CCCCC=C)[nH]1)c1ccc([nH]1)C(\C)=C/CC=C
Show InChI InChI=1S/C26H29N3O/c1-5-7-9-10-12-20-13-14-21(27-20)17-25-26(30-4)18-24(29-25)23-16-15-22(28-23)19(3)11-8-6-2/h5-6,11,13-18H,1-2,7-10,12H2,3-4H3/b19-11-,21-17-,24-23-
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n/an/a>5.00E+4n/an/an/an/a8.037



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM84507
PNG
(Acyclic analogue, 13)
Show SMILES COC1=CC(=N\C1=C/c1ccc(CCCCC=C)[nH]1)c1ccc[nH]1
Show InChI InChI=1S/C20H21N3O/c1-3-4-5-6-8-15-10-11-16(22-15)13-19-20(24-2)14-18(23-19)17-9-7-12-21-17/h3,7,9-14H,1,4-6,8H2,2H3/b16-13-,18-17-
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n/an/a>5.00E+4n/an/an/an/a8.037



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM84508
PNG
(Acyclic analogue, 14)
Show SMILES CCc1ccc(\C=C2/N=C(C=C2OC)c2ccc[nH]2)[nH]1
Show InChI InChI=1S/C16H15N3O/c1-3-11-6-7-12(18-11)9-15-16(20-2)10-14(19-15)13-5-4-8-17-13/h4-10H,3H2,1-2H3/b12-9-,14-13-
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n/an/a>5.00E+4n/an/an/an/a8.037



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM84509
PNG
(Acyclic analogue, 15)
Show SMILES COC1=CC(=N\C1=C/c1ccc(CCCCC=C)[nH]1)c1ccc(CCCC=C)s1
Show InChI InChI=1S/C25H30N2OS/c1-4-6-8-10-11-19-13-14-20(26-19)17-22-24(28-3)18-23(27-22)25-16-15-21(29-25)12-9-7-5-2/h4-5,13-18,26H,1-2,6-12H2,3H3/b22-17-
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n/an/a>5.00E+4n/an/an/an/a8.037



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM84510
PNG
(Acyclic analogue, 17)
Show SMILES CCc1ccc(\C=C2/NC(=O)C=C2OC)[nH]1
Show InChI InChI=1S/C12H14N2O2/c1-3-8-4-5-9(13-8)6-10-11(16-2)7-12(15)14-10/h4-7,13H,3H2,1-2H3,(H,14,15)/b10-6-
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n/an/a>5.00E+4n/an/an/an/a8.037



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM84511
PNG
(Acyclic analogue, 16)
Show SMILES COC1=CC(=O)N\C1=C/c1ccc(CCCCC=C)[nH]1
Show InChI InChI=1S/C16H20N2O2/c1-3-4-5-6-7-12-8-9-13(17-12)10-14-15(20-2)11-16(19)18-14/h3,8-11,17H,1,4-7H2,2H3,(H,18,19)/b14-10-
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n/an/a>5.00E+4n/an/an/an/a8.037



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM84496
PNG
(Roseophilin, 2)
Show SMILES COc1cc(oc1C1=c2[nH]c3=CCCCCCCC[C@H]1[C@H](C(C)C)c2c3)-c1[nH]ccc1Cl
Show InChI InChI=1S/C27H31ClN2O2/c1-16(2)23-18-11-9-7-5-4-6-8-10-17-14-19(23)25(30-17)24(18)27-22(31-3)15-21(32-27)26-20(28)12-13-29-26/h10,12-16,18,23H,4-9,11H2,1-3H3/b17-10?,26-21-,27-24-/t18-,23-/m0/s1
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n/an/a 2.10E+4n/an/an/an/a8.037



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair