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Compile Data Set for Download or QSAR

Found 17 hits of ki data for polymerid = 4881   
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))
BDBM50106497
PNG
(6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...)
Show SMILES Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12
Show InChI InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-4,20-21H,5-9H2
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29n/an/an/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
phosphatase Cdc25


(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
phosphatase Cdc25


(Homo sapiens (Human))
BDBM26613
PNG
((2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-...)
Show SMILES OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;
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72n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Cdc25a catalytic domain expressed in Escherichia coli BL21(DE3) using 3-O-Methylfluorescein phosphate as substrat...


Bioorg Med Chem 20: 4371-6 (2012)


Article DOI: 10.1016/j.bmc.2012.05.040
BindingDB Entry DOI: 10.7270/Q2RB75N4
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50388723
PNG
(CHEMBL2057662)
Show SMILES OC(=O)CCc1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H9O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-5H,6-7H2,(H,10,11);2*1H2;;/q;;;;+2/p-2
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1.70E+3n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Cdc25a catalytic domain expressed in Escherichia coli BL21(DE3) using 3-O-Methylfluorescein phosphate as substrat...


Bioorg Med Chem 20: 4371-6 (2012)


Article DOI: 10.1016/j.bmc.2012.05.040
BindingDB Entry DOI: 10.7270/Q2RB75N4
More data for this
Ligand-Target Pair
phosphatase Cdc25


(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
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50174562
PNG
(CHEMBL3809320)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+
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3.10E+3n/an/an/an/an/an/an/an/a



Universit£ de Lorraine

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/inhibitor comple...


Bioorg Med Chem 24: 2920-2928 (2016)


Article DOI: 10.1016/j.bmc.2016.04.063
BindingDB Entry DOI: 10.7270/Q22J6DS9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50174562
PNG
(CHEMBL3809320)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+
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3.90E+3n/an/an/an/an/an/an/an/a



Universit£ de Lorraine

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/substrate/inhibi...


Bioorg Med Chem 24: 2920-2928 (2016)


Article DOI: 10.1016/j.bmc.2016.04.063
BindingDB Entry DOI: 10.7270/Q22J6DS9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50174562
PNG
(CHEMBL3809320)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+
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4.80E+3n/an/an/an/an/an/an/an/a



Universit£ de Lorraine

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/inhibitor comple...


Bioorg Med Chem 24: 2920-2928 (2016)


Article DOI: 10.1016/j.bmc.2016.04.063
BindingDB Entry DOI: 10.7270/Q22J6DS9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50174562
PNG
(CHEMBL3809320)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+
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5.10E+3n/an/an/an/an/an/an/an/a



Universit£ de Lorraine

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/substrate/inhibi...


Bioorg Med Chem 24: 2920-2928 (2016)


Article DOI: 10.1016/j.bmc.2016.04.063
BindingDB Entry DOI: 10.7270/Q22J6DS9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50174562
PNG
(CHEMBL3809320)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+
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1.22E+4n/an/an/an/an/an/an/an/a



Universit£ de Lorraine

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/substrate/inhibi...


Bioorg Med Chem 24: 2920-2928 (2016)


Article DOI: 10.1016/j.bmc.2016.04.063
BindingDB Entry DOI: 10.7270/Q22J6DS9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50253594
PNG
(1-(3,4-dihydroxyphenyl)-2-[2-(4-methoxyphenyl)-2H-...)
Show SMILES COc1ccc(cc1)-n1nnc(SCC(=O)c2ccc(O)c(O)c2)n1
Show InChI InChI=1S/C16H14N4O4S/c1-24-12-5-3-11(4-6-12)20-18-16(17-19-20)25-9-15(23)10-2-7-13(21)14(22)8-10/h2-8,21-22H,9H2,1H3
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2.04E+4n/an/an/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Binding affinity to Cdc25A (336-523) (unknown origin) expressed in Escherichia coli by steady-state kinetic assay


J Med Chem 51: 5533-41 (2008)


Article DOI: 10.1021/jm701157g
BindingDB Entry DOI: 10.7270/Q20V8CMW
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50253593
PNG
(2-(3,4-Dimethylphenylamino)-5-(3-furan-2-ylallylid...)
Show SMILES Cc1ccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)cc1C
Show InChI InChI=1S/C18H16N2O2S/c1-12-8-9-14(11-13(12)2)19-18-20-17(21)16(23-18)7-3-5-15-6-4-10-22-15/h3-11H,1-2H3,(H,19,20,21)
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2.14E+4n/an/an/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Binding affinity to Cdc25A (336-523) (unknown origin) expressed in Escherichia coli by steady-state kinetic assay


J Med Chem 51: 5533-41 (2008)


Article DOI: 10.1021/jm701157g
BindingDB Entry DOI: 10.7270/Q20V8CMW
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50237948
PNG
((E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-me...)
Show SMILES Clc1ccc(cc1)-c1ccc(\C=C\C2NC(=O)C(C#N)C(=S)N2c2ccccc2)o1
Show InChI InChI=1S/C23H16ClN3O2S/c24-16-8-6-15(7-9-16)20-12-10-18(29-20)11-13-21-26-22(28)19(14-25)23(30)27(21)17-4-2-1-3-5-17/h1-13,19,21H,(H,26,28)/b13-11+
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2.92E+4n/an/an/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Binding affinity to Cdc25A (336-523) (unknown origin) expressed in Escherichia coli by steady-state kinetic assay


J Med Chem 51: 5533-41 (2008)


Article DOI: 10.1021/jm701157g
BindingDB Entry DOI: 10.7270/Q20V8CMW
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50174562
PNG
(CHEMBL3809320)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+
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3.71E+4n/an/an/an/an/an/an/an/a



Universit£ de Lorraine

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/inhibitor comple...


Bioorg Med Chem 24: 2920-2928 (2016)


Article DOI: 10.1016/j.bmc.2016.04.063
BindingDB Entry DOI: 10.7270/Q22J6DS9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50253622
PNG
(2-[4-(4-chlorophenyl)-5-p-tolyl-4H-[1,2,4]triazol-...)
Show SMILES Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18ClN3O3S/c1-14-2-4-15(5-3-14)22-25-26-23(27(22)18-9-7-17(24)8-10-18)31-13-21(30)16-6-11-19(28)20(29)12-16/h2-12,28-29H,13H2,1H3
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3.75E+4n/an/an/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Binding affinity to Cdc25A (336-523) (unknown origin) expressed in Escherichia coli by steady-state kinetic assay


J Med Chem 51: 5533-41 (2008)


Article DOI: 10.1021/jm701157g
BindingDB Entry DOI: 10.7270/Q20V8CMW
More data for this
Ligand-Target Pair
phosphatase Cdc25


(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
phosphatase Cdc25


(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