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Compile Data Set for Download or QSAR

Found 23 hits of ec50 data for polymerid = 8604   
Target
(Institution)
LigandTarget
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
PAK1


(Homo sapiens (Human))
BDBM50437028
PNG
(CHEMBL2403079)
Show SMILES COc1cc(Nc2ncc(Br)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)[C@@H](C)C1
Show InChI InChI=1S/C25H27BrN6O/c1-17-16-32(12-11-31(17)2)22-8-7-20(14-23(22)33-3)29-25-28-15-21(26)24(30-25)19-6-4-5-18(13-19)9-10-27/h4-8,13-15,17H,9,11-12,16H2,1-3H3,(H,28,29,30)/t17-/m0/s1
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n/an/an/an/a 1.04E+3n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437028
PNG
(CHEMBL2403079)
Show SMILES COc1cc(Nc2ncc(Br)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)[C@@H](C)C1
Show InChI InChI=1S/C25H27BrN6O/c1-17-16-32(12-11-31(17)2)22-8-7-20(14-23(22)33-3)29-25-28-15-21(26)24(30-25)19-6-4-5-18(13-19)9-10-27/h4-8,13-15,17H,9,11-12,16H2,1-3H3,(H,28,29,30)/t17-/m0/s1
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n/an/an/an/a 1.06E+3n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437029
PNG
(CHEMBL2403077)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)C(C)C1
Show InChI InChI=1S/C25H27ClN6O/c1-17-16-32(12-11-31(17)2)22-8-7-20(14-23(22)33-3)29-25-28-15-21(26)24(30-25)19-6-4-5-18(13-19)9-10-27/h4-8,13-15,17H,9,11-12,16H2,1-3H3,(H,28,29,30)
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n/an/an/an/a 1.39E+3n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437026
PNG
(CHEMBL2403056)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cc(F)cc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H24ClFN6O/c1-31-7-9-32(10-8-31)21-4-3-19(14-22(21)33-2)29-24-28-15-20(25)23(30-24)17-11-16(5-6-27)12-18(26)13-17/h3-4,11-15H,5,7-10H2,1-2H3,(H,28,29,30)
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n/an/an/an/a 1.51E+3n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437022
PNG
(CHEMBL2403060)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(c2)C(C)(C)C#N)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C26H29ClN6O/c1-26(2,17-28)19-7-5-6-18(14-19)24-21(27)16-29-25(31-24)30-20-8-9-22(23(15-20)34-4)33-12-10-32(3)11-13-33/h5-9,14-16H,10-13H2,1-4H3,(H,29,30,31)
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n/an/an/an/a 2.35E+3n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437027
PNG
(CHEMBL2403080)
Show SMILES COc1cc(Nc2ncc(Br)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)[C@H](C)C1
Show InChI InChI=1S/C25H27BrN6O/c1-17-16-32(12-11-31(17)2)22-8-7-20(14-23(22)33-3)29-25-28-15-21(26)24(30-25)19-6-4-5-18(13-19)9-10-27/h4-8,13-15,17H,9,11-12,16H2,1-3H3,(H,28,29,30)/t17-/m1/s1
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n/an/an/an/a 3.59E+3n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437038
PNG
(CHEMBL2403067)
Show SMILES CCOc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C25H27ClN6O/c1-3-33-23-16-20(7-8-22(23)32-13-11-31(2)12-14-32)29-25-28-17-21(26)24(30-25)19-6-4-5-18(15-19)9-10-27/h4-8,15-17H,3,9,11-14H2,1-2H3,(H,28,29,30)
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n/an/an/an/a 3.78E+3n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437021
PNG
(CHEMBL2403061)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(c2)C(=O)NCC#N)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C25H26ClN7O2/c1-32-10-12-33(13-11-32)21-7-6-19(15-22(21)35-2)30-25-29-16-20(26)23(31-25)17-4-3-5-18(14-17)24(34)28-9-8-27/h3-7,14-16H,9-13H2,1-2H3,(H,28,34)(H,29,30,31)
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n/an/an/an/a 3.79E+3n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437025
PNG
(CHEMBL2403057)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cc(Cl)cc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H24Cl2N6O/c1-31-7-9-32(10-8-31)21-4-3-19(14-22(21)33-2)29-24-28-15-20(26)23(30-24)17-11-16(5-6-27)12-18(25)13-17/h3-4,11-15H,5,7-10H2,1-2H3,(H,28,29,30)
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n/an/an/an/a 4.72E+3n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50424538
PNG
(CHEMBL2312140)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H25ClN6O/c1-30-10-12-31(13-11-30)21-7-6-19(15-22(21)32-2)28-24-27-16-20(25)23(29-24)18-5-3-4-17(14-18)8-9-26/h3-7,14-16H,8,10-13H2,1-2H3,(H,27,28,29)
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n/an/an/an/a 4.73E+3n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437020
PNG
(CHEMBL2403062)
Show SMILES CCOC(=O)c1cccc(c1)-c1nc(Nc2ccc(N3CCN(C)CC3)c(OC)c2)ncc1Cl
Show InChI InChI=1S/C25H28ClN5O3/c1-4-34-24(32)18-7-5-6-17(14-18)23-20(26)16-27-25(29-23)28-19-8-9-21(22(15-19)33-3)31-12-10-30(2)11-13-31/h5-9,14-16H,4,10-13H2,1-3H3,(H,27,28,29)
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n/an/an/an/a 6.64E+3n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437039
PNG
(CHEMBL2403066)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)cc1O
Show InChI InChI=1S/C23H23ClN6O/c1-29-9-11-30(12-10-29)20-6-5-18(14-21(20)31)27-23-26-15-19(24)22(28-23)17-4-2-3-16(13-17)7-8-25/h2-6,13-15,31H,7,9-12H2,1H3,(H,26,27,28)
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n/an/an/an/a 7.99E+3n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437037
PNG
(CHEMBL2403068)
Show SMILES COCCOc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C26H29ClN6O2/c1-32-10-12-33(13-11-32)23-7-6-21(17-24(23)35-15-14-34-2)30-26-29-18-22(27)25(31-26)20-5-3-4-19(16-20)8-9-28/h3-7,16-18H,8,10-15H2,1-2H3,(H,29,30,31)
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n/an/an/an/a 9.14E+3n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437035
PNG
(CHEMBL2403070)
Show SMILES CCOC(=O)c1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C26H27ClN6O2/c1-3-35-25(34)21-16-20(7-8-23(21)33-13-11-32(2)12-14-33)30-26-29-17-22(27)24(31-26)19-6-4-5-18(15-19)9-10-28/h4-8,15-17H,3,9,11-14H2,1-2H3,(H,29,30,31)
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n/an/an/an/a 1.09E+4n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437023
PNG
(CHEMBL2403059)
Show SMILES COc1cc(cc(c1)-c1nc(Nc2ccc(N3CCN(C)CC3)c(OC)c2)ncc1Cl)C#N
Show InChI InChI=1S/C24H25ClN6O2/c1-30-6-8-31(9-7-30)21-5-4-18(13-22(21)33-3)28-24-27-15-20(25)23(29-24)17-10-16(14-26)11-19(12-17)32-2/h4-5,10-13,15H,6-9H2,1-3H3,(H,27,28,29)
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n/an/an/an/a 1.24E+4n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437036
PNG
(CHEMBL2403069)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)cc1C(O)=O
Show InChI InChI=1S/C24H23ClN6O2/c1-30-9-11-31(12-10-30)21-6-5-18(14-19(21)23(32)33)28-24-27-15-20(25)22(29-24)17-4-2-3-16(13-17)7-8-26/h2-6,13-15H,7,9-12H2,1H3,(H,32,33)(H,27,28,29)
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n/an/an/an/a 1.68E+4n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437040
PNG
(CHEMBL2403065)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)cc1F
Show InChI InChI=1S/C23H22ClFN6/c1-30-9-11-31(12-10-30)21-6-5-18(14-20(21)25)28-23-27-15-19(24)22(29-23)17-4-2-3-16(13-17)7-8-26/h2-6,13-15H,7,9-12H2,1H3,(H,27,28,29)
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n/an/an/an/a 1.76E+4n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437030
PNG
(CHEMBL2403075)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)cc1-c1ncc(C)o1
Show InChI InChI=1S/C27H26ClN7O/c1-18-16-30-26(36-18)22-15-21(6-7-24(22)35-12-10-34(2)11-13-35)32-27-31-17-23(28)25(33-27)20-5-3-4-19(14-20)8-9-29/h3-7,14-17H,8,10-13H2,1-2H3,(H,31,32,33)
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n/an/an/an/a 2.13E+4n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437034
PNG
(CHEMBL2403071)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)cc1C#N
Show InChI InChI=1S/C24H22ClN7/c1-31-9-11-32(12-10-31)22-6-5-20(14-19(22)15-27)29-24-28-16-21(25)23(30-24)18-4-2-3-17(13-18)7-8-26/h2-6,13-14,16H,7,9-12H2,1H3,(H,28,29,30)
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n/an/an/an/a 2.77E+4n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437024
PNG
(CHEMBL2403058)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cc(Cl)cc(c2)C#N)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C23H22Cl2N6O/c1-30-5-7-31(8-6-30)20-4-3-18(12-21(20)32-2)28-23-27-14-19(25)22(29-23)16-9-15(13-26)10-17(24)11-16/h3-4,9-12,14H,5-8H2,1-2H3,(H,27,28,29)
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n/an/an/an/a 3.95E+4n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437031
PNG
(CHEMBL2403074)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)cc1-c1ncco1
Show InChI InChI=1S/C26H24ClN7O/c1-33-10-12-34(13-11-33)23-6-5-20(16-21(23)25-29-9-14-35-25)31-26-30-17-22(27)24(32-26)19-4-2-3-18(15-19)7-8-28/h2-6,9,14-17H,7,10-13H2,1H3,(H,30,31,32)
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n/an/an/an/a 3.96E+4n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437032
PNG
(CHEMBL2403073)
Show SMILES CCN(CC)C(=O)c1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C28H32ClN7O/c1-4-35(5-2)27(37)23-18-22(9-10-25(23)36-15-13-34(3)14-16-36)32-28-31-19-24(29)26(33-28)21-8-6-7-20(17-21)11-12-30/h6-10,17-19H,4-5,11,13-16H2,1-3H3,(H,31,32,33)
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n/an/an/an/a 5.01E+4n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437033
PNG
(CHEMBL2403072)
Show SMILES CNC(=O)c1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C25H26ClN7O/c1-28-24(34)20-15-19(6-7-22(20)33-12-10-32(2)11-13-33)30-25-29-16-21(26)23(31-25)18-5-3-4-17(14-18)8-9-27/h3-7,14-16H,8,10-13H2,1-2H3,(H,28,34)(H,29,30,31)
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antibodypedia
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PubMed
n/an/an/an/a 6.13E+4n/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 23: 4072-5 (2013)

More data for this
Ligand-Target Pair