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Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'de vendittis' and Initial = 'e'   
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))
BDBM41999
PNG
(3-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)propionic ...)
Show SMILES OC(=O)CCc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
Show InChI InChI=1S/C16H12O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-2,4-5,17,21-22H,3,6H2,(H,19,20)
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70n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by Lineweav...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM41999
PNG
(3-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)propionic ...)
Show SMILES OC(=O)CCc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
Show InChI InChI=1S/C16H12O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-2,4-5,17,21-22H,3,6H2,(H,19,20)
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80n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50504063
PNG
(CHEMBL4570006)
Show SMILES CCOC(=O)c1ccccc1Nc1cccc2ccccc12
Show InChI InChI=1S/C19H17NO2/c1-2-22-19(21)16-11-5-6-12-18(16)20-17-13-7-9-14-8-3-4-10-15(14)17/h3-13,20H,2H2,1H3
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400n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human CDC25C (280 to 454 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate by doub...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50504077
PNG
(CHEMBL4442406)
Show SMILES Nc1cccc2c(Nc3cccc(c3)C(O)=O)cccc12
Show InChI InChI=1S/C17H14N2O2/c18-15-8-2-7-14-13(15)6-3-9-16(14)19-12-5-1-4-11(10-12)17(20)21/h1-10,19H,18H2,(H,20,21)
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600n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human CDC25A (336 to 508 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate by doub...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50504063
PNG
(CHEMBL4570006)
Show SMILES CCOC(=O)c1ccccc1Nc1cccc2ccccc12
Show InChI InChI=1S/C19H17NO2/c1-2-22-19(21)16-11-5-6-12-18(16)20-17-13-7-9-14-8-3-4-10-15(14)17/h3-13,20H,2H2,1H3
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600n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human CDC25A (336 to 508 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate by doub...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504064
PNG
(CHEMBL4438316)
Show SMILES Cl.Nc1cccc2c(Nc3cccc(c3)C(O)=O)cccc12
Show InChI InChI=1S/C17H14N2O2/c18-15-8-2-7-14-13(15)6-3-9-16(14)19-12-5-1-4-11(10-12)17(20)21/h1-10,19H,18H2,(H,20,21)
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800n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Non-competitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as s...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504065
PNG
(CHEMBL4438470)
Show SMILES Cl.Nc1ccc(Nc2cccc(c2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C17H14N2O2/c18-15-8-9-16(14-7-2-1-6-13(14)15)19-12-5-3-4-11(10-12)17(20)21/h1-10,19H,18H2,(H,20,21)
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1.40E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Non-competitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as s...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50504074
PNG
(CHEMBL4447602)
Show SMILES CCOC(=O)c1cccc(Nc2cc(OC)cc3ccccc23)c1
Show InChI InChI=1S/C20H19NO3/c1-3-24-20(22)15-8-6-9-16(11-15)21-19-13-17(23-2)12-14-7-4-5-10-18(14)19/h4-13,21H,3H2,1-2H3
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1.90E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human CDC25C (280 to 454 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate by doub...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM26617
PNG
(4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxy...)
Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C16H10O7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)
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2.30E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by Lineweav...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504087
PNG
(CHEMBL4587130)
Show SMILES OC(=O)c1ccccc1Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C17H13NO3/c19-16-10-9-15(11-5-1-2-6-12(11)16)18-14-8-4-3-7-13(14)17(20)21/h1-10,18-19H,(H,20,21)
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2.70E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Non-competitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as s...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504063
PNG
(CHEMBL4570006)
Show SMILES CCOC(=O)c1ccccc1Nc1cccc2ccccc12
Show InChI InChI=1S/C19H17NO2/c1-2-22-19(21)16-11-5-6-12-18(16)20-17-13-7-9-14-8-3-4-10-15(14)17/h3-13,20H,2H2,1H3
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2.80E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as sub...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504067
PNG
(CHEMBL4437577)
Show SMILES OC(=O)c1cccc(Nc2cccc3c(O)cccc23)c1
Show InChI InChI=1S/C17H13NO3/c19-16-9-3-6-13-14(16)7-2-8-15(13)18-12-5-1-4-11(10-12)17(20)21/h1-10,18-19H,(H,20,21)
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2.90E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Non-competitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as s...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50504074
PNG
(CHEMBL4447602)
Show SMILES CCOC(=O)c1cccc(Nc2cc(OC)cc3ccccc23)c1
Show InChI InChI=1S/C20H19NO3/c1-3-24-20(22)15-8-6-9-16(11-15)21-19-13-17(23-2)12-14-7-4-5-10-18(14)19/h4-13,21H,3H2,1-2H3
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3.00E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human CDC25A (336 to 508 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate by doub...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))
BDBM50504077
PNG
(CHEMBL4442406)
Show SMILES Nc1cccc2c(Nc3cccc(c3)C(O)=O)cccc12
Show InChI InChI=1S/C17H14N2O2/c18-15-8-2-7-14-13(15)6-3-9-16(14)19-12-5-1-4-11(10-12)17(20)21/h1-10,19H,18H2,(H,20,21)
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4.00E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human CDC25C (280 to 454 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate by doub...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504080
PNG
(CHEMBL4525255)
Show SMILES CCOC(=O)c1cccc(Nc2cccc3c(O)cccc23)c1
Show InChI InChI=1S/C19H17NO3/c1-2-23-19(22)13-6-3-7-14(12-13)20-17-10-4-9-16-15(17)8-5-11-18(16)21/h3-12,20-21H,2H2,1H3
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4.90E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Non-competitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as s...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504081
PNG
(CHEMBL4442999)
Show SMILES OC(=O)c1ccccc1Nc1cc(O)cc2ccccc12
Show InChI InChI=1S/C17H13NO3/c19-12-9-11-5-1-2-6-13(11)16(10-12)18-15-8-4-3-7-14(15)17(20)21/h1-10,18-19H,(H,20,21)
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5.10E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Non-competitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as s...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM26617
PNG
(4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxy...)
Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C16H10O7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)
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5.30E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OM...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM26617
PNG
(4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxy...)
Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C16H10O7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)
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5.30E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504068
PNG
(CHEMBL4465468)
Show SMILES OC(=O)c1cccc(Nc2cc(O)cc3ccccc23)c1
Show InChI InChI=1S/C17H13NO3/c19-14-9-11-4-1-2-7-15(11)16(10-14)18-13-6-3-5-12(8-13)17(20)21/h1-10,18-19H,(H,20,21)
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5.80E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Non-competitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as s...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504075
PNG
(CHEMBL4521134)
Show SMILES COc1ccc(Nc2ccccc2C(O)=O)c2ccccc12
Show InChI InChI=1S/C18H15NO3/c1-22-17-11-10-16(12-6-2-3-7-13(12)17)19-15-9-5-4-8-14(15)18(20)21/h2-11,19H,1H3,(H,20,21)
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6.10E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as sub...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504085
PNG
(CHEMBL4585545)
Show SMILES OC(=O)c1cccc(Nc2ccc(O)c3ccccc23)c1
Show InChI InChI=1S/C17H13NO3/c19-16-9-8-15(13-6-1-2-7-14(13)16)18-12-5-3-4-11(10-12)17(20)21/h1-10,18-19H,(H,20,21)
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6.40E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as sub...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504088
PNG
(CHEMBL4434749)
Show SMILES Nc1cccc2c(Nc3ccccc3C(O)=O)cccc12
Show InChI InChI=1S/C17H14N2O2/c18-14-8-3-7-12-11(14)6-4-10-15(12)19-16-9-2-1-5-13(16)17(20)21/h1-10,19H,18H2,(H,20,21)
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6.50E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Non-competitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as s...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504070
PNG
(CHEMBL4473428)
Show SMILES CCOC(=O)c1ccccc1Nc1ccc(OC)c2ccccc12
Show InChI InChI=1S/C20H19NO3/c1-3-24-20(22)16-10-6-7-11-17(16)21-18-12-13-19(23-2)15-9-5-4-8-14(15)18/h4-13,21H,3H2,1-2H3
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6.90E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Non-competitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as s...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504071
PNG
(CHEMBL4470428)
Show SMILES COc1ccc(C(=O)c2ccccc2C(O)=O)c2ccccc12
Show InChI InChI=1S/C19H14O4/c1-23-17-11-10-15(12-6-2-3-7-13(12)17)18(20)14-8-4-5-9-16(14)19(21)22/h2-11H,1H3,(H,21,22)
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7.10E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Non-competitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as s...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504086
PNG
(CHEMBL4520431)
Show SMILES CCOC(=O)c1cccc(Nc2cccc3ccccc23)c1
Show InChI InChI=1S/C19H17NO2/c1-2-22-19(21)15-9-5-10-16(13-15)20-18-12-6-8-14-7-3-4-11-17(14)18/h3-13,20H,2H2,1H3
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7.30E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as sub...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504066
PNG
(CHEMBL4566865)
Show SMILES CCOC(=O)c1ccccc1Nc1cccc2c(O)cccc12
Show InChI InChI=1S/C19H17NO3/c1-2-23-19(22)15-7-3-4-10-17(15)20-16-11-5-9-14-13(16)8-6-12-18(14)21/h3-12,20-21H,2H2,1H3
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7.40E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Non-competitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as s...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504074
PNG
(CHEMBL4447602)
Show SMILES CCOC(=O)c1cccc(Nc2cc(OC)cc3ccccc23)c1
Show InChI InChI=1S/C20H19NO3/c1-3-24-20(22)15-8-6-9-16(11-15)21-19-13-17(23-2)12-14-7-4-5-10-18(14)19/h4-13,21H,3H2,1-2H3
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8.50E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as sub...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504079
PNG
(CHEMBL4464552)
Show SMILES Cl.CCOC(=O)c1ccccc1Nc1cccc2c(N)cccc12
Show InChI InChI=1S/C19H18N2O2/c1-2-23-19(22)15-7-3-4-11-18(15)21-17-12-6-8-13-14(17)9-5-10-16(13)20/h3-12,21H,2,20H2,1H3
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9.90E+3n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Non-competitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as s...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504089
PNG
(CHEMBL4449432)
Show SMILES CCOC(=O)c1cccc(Nc2ccc(OC)c3ccccc23)c1
Show InChI InChI=1S/C20H19NO3/c1-3-24-20(22)14-7-6-8-15(13-14)21-18-11-12-19(23-2)17-10-5-4-9-16(17)18/h4-13,21H,3H2,1-2H3
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1.19E+4n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Non-competitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as s...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504078
PNG
(CHEMBL4551836)
Show SMILES CCOC(=O)c1ccccc1Nc1cc(OC)cc2ccccc12
Show InChI InChI=1S/C20H19NO3/c1-3-24-20(22)17-10-6-7-11-18(17)21-19-13-15(23-2)12-14-8-4-5-9-16(14)19/h4-13,21H,3H2,1-2H3
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1.25E+4n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as sub...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504060
PNG
(CHEMBL4592345)
Show SMILES OC(=O)c1ccccc1Nc1cccc2c(O)cccc12
Show InChI InChI=1S/C17H13NO3/c19-16-10-4-6-11-12(16)7-3-9-14(11)18-15-8-2-1-5-13(15)17(20)21/h1-10,18-19H,(H,20,21)
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1.34E+4n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Non-competitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as s...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504069
PNG
(CHEMBL4552533)
Show SMILES COc1cc(Nc2ccccc2C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C18H15NO3/c1-22-13-10-12-6-2-3-7-14(12)17(11-13)19-16-9-5-4-8-15(16)18(20)21/h2-11,19H,1H3,(H,20,21)
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1.69E+4n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Non-competitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as s...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504084
PNG
(CHEMBL4443206)
Show SMILES OC(=O)c1ccccc1Nc1cccc2ccccc12
Show InChI InChI=1S/C17H13NO2/c19-17(20)14-9-3-4-10-16(14)18-15-11-5-7-12-6-1-2-8-13(12)15/h1-11,18H,(H,19,20)
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2.20E+4n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as sub...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504072
PNG
(CHEMBL4561981)
Show SMILES OC(=O)c1cccc(Nc2cccc3ccccc23)c1
Show InChI InChI=1S/C17H13NO2/c19-17(20)13-7-3-8-14(11-13)18-16-10-4-6-12-5-1-2-9-15(12)16/h1-11,18H,(H,19,20)
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3.00E+4n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Mixed inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate b...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504083
PNG
(CHEBI:34876 | CHEMBL170408)
Show SMILES N(c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H
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3.20E+4n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Mixed inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate b...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504082
PNG
(CHEMBL4437090)
Show SMILES OC(=O)c1ccccc1C(=O)c1cc(O)cc2ccccc12
Show InChI InChI=1S/C18H12O4/c19-12-9-11-5-1-2-6-13(11)16(10-12)17(20)14-7-3-4-8-15(14)18(21)22/h1-10,19H,(H,21,22)
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3.40E+4n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Non-competitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as s...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504059
PNG
(CHEMBL4465589)
Show SMILES Cl.CCOC(=O)c1cccc(Nc2cccc3c(N)cccc23)c1
Show InChI InChI=1S/C19H18N2O2/c1-2-23-19(22)13-6-3-7-14(12-13)21-18-11-5-8-15-16(18)9-4-10-17(15)20/h3-12,21H,2,20H2,1H3
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3.60E+4n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Non-competitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as s...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504073
PNG
(CHEMBL4472907)
Show SMILES COc1cc(C(=O)c2ccccc2C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C19H14O4/c1-23-13-10-12-6-2-3-7-14(12)17(11-13)18(20)15-8-4-5-9-16(15)19(21)22/h2-11H,1H3,(H,21,22)
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3.60E+4n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Mixed inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate b...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504062
PNG
(CHEMBL4439019)
Show SMILES COc1ccc(Nc2cccc(c2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C18H15NO3/c1-22-17-10-9-16(14-7-2-3-8-15(14)17)19-13-6-4-5-12(11-13)18(20)21/h2-11,19H,1H3,(H,20,21)
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4.50E+4n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as sub...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504061
PNG
(CHEMBL4452849)
Show SMILES CCOC(=O)c1ccccc1C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C20H16O3/c1-2-23-20(22)18-12-6-5-11-17(18)19(21)16-13-7-9-14-8-3-4-10-15(14)16/h3-13H,2H2,1H3
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5.40E+4n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Mixed inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate b...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50504076
PNG
(CHEMBL4543585)
Show SMILES COc1cc(Nc2cccc(c2)C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C18H15NO3/c1-22-15-10-12-5-2-3-8-16(12)17(11-15)19-14-7-4-6-13(9-14)18(20)21/h2-11,19H,1H3,(H,20,21)
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5.50E+4n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as sub...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM52026
PNG
(2-(1-naphthoyl)benzoic acid | 2-(naphthalene-1-car...)
Show SMILES OC(=O)c1ccccc1C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C18H12O3/c19-17(15-9-3-4-10-16(15)18(20)21)14-11-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,20,21)
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6.90E+4n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Mixed inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate b...


J Med Chem 62: 7089-7110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00632
BindingDB Entry DOI: 10.7270/Q20005B5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50388538
PNG
(CHEMBL507159)
Show SMILES COc1ccc(Cc2ccc3[nH]c(=O)cc(C)c3c2)cc1S(O)(=O)=O
Show InChI InChI=1S/C18H17NO5S/c1-11-7-18(20)19-15-5-3-12(9-14(11)15)8-13-4-6-16(24-2)17(10-13)25(21,22)23/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,21,22,23)
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8.40E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50328823
PNG
(5,5'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)dif...)
Show SMILES OS(=O)(=O)c1ccc(o1)-c1nnc(nc1-c1ccc(o1)S(O)(=O)=O)-c1ccccn1
Show InChI InChI=1S/C16H10N4O8S2/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9/h1-8H,(H,21,22,23)(H,24,25,26)
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1.39E+5n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by Lineweav...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50328823
PNG
(5,5'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)dif...)
Show SMILES OS(=O)(=O)c1ccc(o1)-c1nnc(nc1-c1ccc(o1)S(O)(=O)=O)-c1ccccn1
Show InChI InChI=1S/C16H10N4O8S2/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9/h1-8H,(H,21,22,23)(H,24,25,26)
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1.59E+5n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50388538
PNG
(CHEMBL507159)
Show SMILES COc1ccc(Cc2ccc3[nH]c(=O)cc(C)c3c2)cc1S(O)(=O)=O
Show InChI InChI=1S/C18H17NO5S/c1-11-7-18(20)19-15-5-3-12(9-14(11)15)8-13-4-6-16(24-2)17(10-13)25(21,22)23/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,21,22,23)
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2.03E+5n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by Lineweav...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50267086
PNG
(Adociaquinone B | CHEMBL476648)
Show SMILES C[C@@]12CCCc3coc(c13)C(=O)c1cc3C(=O)C4=NCCS(=O)(=O)C4C(=O)c3cc21 |r,t:19|
Show InChI InChI=1S/C22H17NO6S/c1-22-4-2-3-10-9-29-20(15(10)22)18(25)13-7-11-12(8-14(13)22)19(26)21-16(17(11)24)23-5-6-30(21,27)28/h7-9,21H,2-6H2,1H3/t21?,22-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM41999
PNG
(3-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)propionic ...)
Show SMILES OC(=O)CCc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
Show InChI InChI=1S/C16H12O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-2,4-5,17,21-22H,3,6H2,(H,19,20)
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n/an/a 100n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM41999
PNG
(3-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)propionic ...)
Show SMILES OC(=O)CCc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
Show InChI InChI=1S/C16H12O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-2,4-5,17,21-22H,3,6H2,(H,19,20)
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n/an/a 240n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM41999
PNG
(3-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)propionic ...)
Show SMILES OC(=O)CCc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
Show InChI InChI=1S/C16H12O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-2,4-5,17,21-22H,3,6H2,(H,19,20)
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n/an/a 330n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate in presence...


J Med Chem 55: 4142-58 (2012)


Article DOI: 10.1021/jm201624h
BindingDB Entry DOI: 10.7270/Q2X34ZJ9
More data for this
Ligand-Target Pair
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