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PubMed code 21794960

Compile data set for download or QSAR
Found 194 hits of Enzyme Inhibition Constant Data   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a<0.5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate ...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a<0.5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK1 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate ...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a<0.5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate ...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of Aurora A using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence micropl...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.830n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of c-Src using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a<1n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of LCK using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate a...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a<1n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of c-Src using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of LCK using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate a...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of ALK using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate a...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate ...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 8.90n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of LCK using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate a...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 17n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate ...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 55n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of ALK using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate a...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 77n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate ...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 131n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK1 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate ...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 153n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of c-Src using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 184n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate ...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 405n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of c-Met using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355550
PNG
(CHEMBL1910608)
Show SMILES NC(=N)N\N=C/c1c(nc2sc(Br)cn12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10BrN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-1-3-8(4-2-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5-
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n/an/a 607n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate ...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355557
PNG
(CHEMBL1910625)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10ClN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-1-3-8(4-2-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5+
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n/an/a 970n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50355550
PNG
(CHEMBL1910608)
Show SMILES NC(=N)N\N=C/c1c(nc2sc(Br)cn12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10BrN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-1-3-8(4-2-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5-
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n/an/a 1.18E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK1 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate ...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355550
PNG
(CHEMBL1910608)
Show SMILES NC(=N)N\N=C/c1c(nc2sc(Br)cn12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10BrN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-1-3-8(4-2-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5-
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n/an/a 1.23E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 1.84E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of Aurora A using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence micropl...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355550
PNG
(CHEMBL1910608)
Show SMILES NC(=N)N\N=C/c1c(nc2sc(Br)cn12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10BrN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-1-3-8(4-2-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5-
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n/an/a 1.96E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate ...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355553
PNG
(CHEMBL1910607)
Show SMILES NC(=N)N\N=C/c1c(nc2sc(F)cn12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10FN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-1-3-8(4-2-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5-
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n/an/a 2.15E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 2.63E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of Aurora A using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence micropl...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355558
PNG
(CHEMBL1910626)
Show SMILES Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H13N7O2S/c1-8-7-20-11(6-17-19-13(15)16)12(18-14(20)24-8)9-2-4-10(5-3-9)21(22)23/h2-7H,1H3,(H4,15,16,19)/b17-6+
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n/an/a 2.80E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355559
PNG
(CHEMBL1910627)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(nc2ccccn12)-c1ccc(Cl)c(c1)-[#7+](-[#8-])=O |w:5.5|
Show InChI InChI=1S/C15H12ClN7O2/c16-10-5-4-9(7-11(10)23(24)25)14-12(8-19-21-15(17)18)22-6-2-1-3-13(22)20-14/h1-8H,(H4,17,18,21)
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n/an/a 2.89E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355560
PNG
(CHEMBL1910628)
Show SMILES NC(=N)N\N=C\c1c(nc2sccn12)-c1ccc(N)cc1
Show InChI InChI=1S/C13H13N7S/c14-9-3-1-8(2-4-9)11-10(7-17-19-12(15)16)20-5-6-21-13(20)18-11/h1-7H,14H2,(H4,15,16,19)/b17-7+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355561
PNG
(CHEMBL1910629)
Show SMILES NC(=N)N\N=C\c1c(nc2sccn12)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10ClN7O2S/c14-8-2-1-7(5-9(8)21(22)23)11-10(6-17-19-12(15)16)20-3-4-24-13(20)18-11/h1-6H,(H4,15,16,19)/b17-6+
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n/an/a 3.13E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355562
PNG
(CHEMBL1910630)
Show SMILES COc1cc(c(OC)cc1-c1nc2sccn2c1\C=N\NC(N)=N)[N+]([O-])=O
Show InChI InChI=1S/C15H15N7O4S/c1-25-11-6-9(22(23)24)12(26-2)5-8(11)13-10(7-18-20-14(16)17)21-3-4-27-15(21)19-13/h3-7H,1-2H3,(H4,16,17,20)/b18-7+
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n/an/a 3.58E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355563
PNG
(CHEMBL1910631)
Show SMILES Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12ClN7O2S/c1-7-6-21-11(5-18-20-13(16)17)12(19-14(21)25-7)8-2-3-9(15)10(4-8)22(23)24/h2-6H,1H3,(H4,16,17,20)/b18-5+
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n/an/a 3.76E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355583
PNG
(CHEMBL1910374)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H9ClFN7O2S/c14-10-5-21-9(4-18-20-12(16)17)11(19-13(21)25-10)6-1-2-7(15)8(3-6)22(23)24/h1-5H,(H4,16,17,20)/b18-4+
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n/an/a 3.93E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355564
PNG
(CHEMBL1910632)
Show SMILES Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C14H11Cl2N7O2S/c1-6-5-22-11(4-19-21-13(17)18)12(20-14(22)26-6)7-2-10(23(24)25)9(16)3-8(7)15/h2-5H,1H3,(H4,17,18,21)/b19-4+
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n/an/a 4.53E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355565
PNG
(CHEMBL1910633)
Show SMILES NC(=N)N\N=C\c1c(nc2sccn12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N7O2S/c14-12(15)18-16-7-10-11(17-13-19(10)5-6-23-13)8-1-3-9(4-2-8)20(21)22/h1-7H,(H4,14,15,18)/b16-7+
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n/an/a 5.66E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355566
PNG
(CHEMBL1910634)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H9Cl2N7O2S/c14-7-2-1-6(3-8(7)22(23)24)11-9(4-18-20-12(16)17)21-5-10(15)25-13(21)19-11/h1-5H,(H4,16,17,20)/b18-4+
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n/an/a 5.85E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355567
PNG
(CHEMBL1910635)
Show SMILES NC(=N)N\N=C\c1c(nc2sccn12)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H9Cl2N7O2S/c14-7-4-8(15)9(22(23)24)3-6(7)11-10(5-18-20-12(16)17)21-1-2-25-13(21)19-11/h1-5H,(H4,16,17,20)/b18-5+
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n/an/a 5.93E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355568
PNG
(CHEMBL1910636)
Show SMILES CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C16H15Cl2N7O2S/c1-2-3-8-7-24-13(6-21-23-15(19)20)14(22-16(24)28-8)9-4-12(25(26)27)11(18)5-10(9)17/h4-7H,2-3H2,1H3,(H4,19,20,23)/b21-6+
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n/an/a 5.97E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355569
PNG
(CHEMBL1910637)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10ClN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-2-1-3-8(4-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5+
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n/an/a 6.03E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355570
PNG
(CHEMBL1910744)
Show SMILES CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H16ClN7O2S/c1-2-3-10-8-23-13(7-20-22-15(18)19)14(21-16(23)27-10)9-4-5-11(17)12(6-9)24(25)26/h4-8H,2-3H2,1H3,(H4,18,19,22)/b20-7+
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n/an/a 6.43E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355607
PNG
(CHEMBL1910761)
Show SMILES Cc1sc2nc(c(\C=N\NC(N)=N)n2c1C)-c1cccnc1
Show InChI InChI=1S/C14H15N7S/c1-8-9(2)22-14-19-12(10-4-3-5-17-6-10)11(21(8)14)7-18-20-13(15)16/h3-7H,1-2H3,(H4,15,16,20)/b18-7+
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n/an/a 6.58E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355571
PNG
(CHEMBL1910745)
Show SMILES NC(=N)N\N=C\c1c(nc2sc3ccccc3n12)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H12ClN7O2S/c18-10-6-5-9(7-12(10)25(26)27)15-13(8-21-23-16(19)20)24-11-3-1-2-4-14(11)28-17(24)22-15/h1-8H,(H4,19,20,23)/b21-8+
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n/an/a 7.32E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355556
PNG
(CHEMBL1910623)
Show SMILES COc1cc(c(OC)cc1-c1nc2ccccn2c1C=N[NH+]=C(N)[NH-])[N+]([O-])=O |w:19.21,21.23|
Show InChI InChI=1S/C17H16N7O4/c1-27-13-8-11(24(25)26)14(28-2)7-10(13)16-12(9-20-22-17(18)19)23-6-4-3-5-15(23)21-16/h3-9H,1-2H3,(H3-,18,19,22)/q-1/p+1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355551
PNG
(CHEMBL1910371)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C11H7Cl3N6S2/c12-6-1-4(9(14)21-6)8-5(2-17-19-10(15)16)20-3-7(13)22-11(20)18-8/h1-3H,(H4,15,16,19)/b17-2+
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n/an/a 8.26E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355552
PNG
(CHEMBL1910375)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C14H10ClN7S/c15-11-7-22-10(6-19-21-13(17)18)12(20-14(22)23-11)9-3-1-8(5-16)2-4-9/h1-4,6-7H,(H4,17,18,21)/b19-6+
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n/an/a 8.55E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355555
PNG
(CHEMBL1910614)
Show SMILES COc1cc(c(OC)cc1-c1nc2sc3ccccc3n2c1\C=N\[NH+]=C(\N)[NH-])[N+]([O-])=O
Show InChI InChI=1S/C19H16N7O4S/c1-29-14-8-12(26(27)28)15(30-2)7-10(14)17-13(9-22-24-18(20)21)25-11-5-3-4-6-16(11)31-19(25)23-17/h3-9H,1-2H3,(H3-,20,21,24)/q-1/p+1/b22-9+
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n/an/a 1.02E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355572
PNG
(CHEMBL1910746)
Show SMILES COc1cc(c(OC)cc1-c1nc2sc(Cl)cn2c1\C=N\NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1cc(OC)c(cc1OC)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C29H23Cl2N11O8S2/c1-47-19-7-15(41(43)44)21(49-3)5-13(19)25-17(39-11-23(30)51-28(39)35-25)9-33-37-27(32)38-34-10-18-26(36-29-40(18)12-24(31)52-29)14-6-22(50-4)16(42(45)46)8-20(14)48-2/h5-12H,1-4H3,(H3,32,37,38)/b33-9+,34-10+
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n/an/a 1.14E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355554
PNG
(CHEMBL1910616)
Show SMILES NC(=N)N\N=C\c1c(nc2sc3ccccc3n12)-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C15H10Cl2N6S2/c16-11-5-7(13(17)25-11)12-9(6-20-22-14(18)19)23-8-3-1-2-4-10(8)24-15(23)21-12/h1-6H,(H4,18,19,22)/b20-6+
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n/an/a 1.20E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355573
PNG
(CHEMBL1910747)
Show SMILES CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H17N7O2S/c1-2-4-12-9-22-13(8-19-21-15(17)18)14(20-16(22)26-12)10-5-3-6-11(7-10)23(24)25/h3,5-9H,2,4H2,1H3,(H4,17,18,21)/b19-8+
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n/an/a 1.33E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355550
PNG
(CHEMBL1910608)
Show SMILES NC(=N)N\N=C/c1c(nc2sc(Br)cn12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10BrN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-1-3-8(4-2-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5-
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n/an/a 1.38E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate ...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355574
PNG
(CHEMBL1910748)
Show SMILES Cc1sc2nc(c(\C=N\NC(N)=N)n2c1C)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H14ClN7O2S/c1-7-8(2)26-15-20-13(12(22(7)15)6-19-21-14(17)18)9-3-4-10(16)11(5-9)23(24)25/h3-6H,1-2H3,(H4,17,18,21)/b19-6+
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n/an/a 1.39E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355575
PNG
(CHEMBL1910749)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10Cl2N6S/c14-8-3-1-7(2-4-8)11-9(5-18-20-12(16)17)21-6-10(15)22-13(21)19-11/h1-6H,(H4,16,17,20)/b18-5+
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n/an/a 1.40E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355576
PNG
(CHEMBL1910750)
Show SMILES Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H13N7O2S/c1-8-7-20-11(6-17-19-13(15)16)12(18-14(20)24-8)9-3-2-4-10(5-9)21(22)23/h2-7H,1H3,(H4,15,16,19)/b17-6+
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n/an/a 1.75E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355597
PNG
(CHEMBL1910751)
Show SMILES Cc1cn2c(\C=N\NC(=N)NN)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H13ClN8O2S/c1-7-6-22-11(5-18-21-13(16)20-17)12(19-14(22)26-7)8-2-3-9(15)10(4-8)23(24)25/h2-6H,17H2,1H3,(H3,16,20,21)/b18-5+
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n/an/a 1.80E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355598
PNG
(CHEMBL1910752)
Show SMILES NC(=N)N\N=C\c1c(nc2sccn12)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N7O2S/c14-12(15)18-16-7-10-11(17-13-19(10)4-5-23-13)8-2-1-3-9(6-8)20(21)22/h1-7H,(H4,14,15,18)/b16-7+
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n/an/a 1.85E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355578
PNG
(CHEMBL1910606)
Show SMILES Cc1cn2c(\C=N/NC(N)=N)c(nc2s1)-c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12FN7O2S/c1-7-6-21-11(5-18-20-13(16)17)12(19-14(21)25-7)8-2-3-9(15)10(4-8)22(23)24/h2-6H,1H3,(H4,16,17,20)/b18-5-
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n/an/a 1.89E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355579
PNG
(CHEMBL1910609)
Show SMILES Clc1cc(c(Cl)s1)-c1nc2sc(Cl)cn2c1\C=N\NC1=NCCN1 |t:22|
Show InChI InChI=1S/C13H9Cl3N6S2/c14-8-3-6(11(16)23-8)10-7(4-19-21-12-17-1-2-18-12)22-5-9(15)24-13(22)20-10/h3-5H,1-2H2,(H2,17,18,21)/b19-4+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355604
PNG
(CHEMBL1910758)
Show SMILES CCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C15H13Cl2N7O2S/c1-2-7-6-23-12(5-20-22-14(18)19)13(21-15(23)27-7)8-3-11(24(25)26)10(17)4-9(8)16/h3-6H,2H2,1H3,(H4,18,19,22)/b20-5+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50355550
PNG
(CHEMBL1910608)
Show SMILES NC(=N)N\N=C/c1c(nc2sc(Br)cn12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10BrN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-1-3-8(4-2-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5-
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n/an/a>2.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of Aurora A using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence micropl...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a>2.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of c-Met using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK1 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate ...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355586
PNG
(CHEMBL1910376)
Show SMILES Cc1nn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C11H9Cl2N7S2/c1-4-19-20-6(3-16-18-10(14)15)8(17-11(20)21-4)5-2-7(12)22-9(5)13/h2-3H,1H3,(H4,14,15,18)/b16-3+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355580
PNG
(CHEMBL1910610)
Show SMILES Cc1nn2c(\C=N\NC3=NCCN3)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C15H13ClN8O2S/c1-8-22-23-12(7-19-21-14-17-4-5-18-14)13(20-15(23)27-8)9-2-3-10(16)11(6-9)24(25)26/h2-3,6-7H,4-5H2,1H3,(H2,17,18,21)/b19-7+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355596
PNG
(CHEMBL1910624)
Show SMILES Clc1cc(c(Cl)s1)-c1nc2ccccn2c1-[#6]=[#7]\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1 |w:16.18|
Show InChI InChI=1S/C15H12Cl2N6S/c16-11-7-9(14(17)24-11)13-10(8-20-22-15-18-4-5-19-15)23-6-2-1-3-12(23)21-13/h1-3,6-8H,4-5H2,(H2,18,19,22)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate ...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50355550
PNG
(CHEMBL1910608)
Show SMILES NC(=N)N\N=C/c1c(nc2sc(Br)cn12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10BrN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-1-3-8(4-2-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5-
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n/an/a>2.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of ALK using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate a...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355582
PNG
(CHEMBL1910622)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(nc2ccccn12)-c1cc(Cl)sc1Cl |w:5.5|
Show InChI InChI=1S/C13H10Cl2N6S/c14-9-5-7(12(15)22-9)11-8(6-18-20-13(16)17)21-4-2-1-3-10(21)19-11/h1-6H,(H4,16,17,20)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355587
PNG
(CHEMBL1910595)
Show SMILES COc1cc(c(OC)cc1-c1nc2sc(C)nn2c1\C=N/NC(N)=N)[N+]([O-])=O
Show InChI InChI=1S/C15H16N8O4S/c1-7-21-22-10(6-18-20-14(16)17)13(19-15(22)28-7)8-4-12(27-3)9(23(24)25)5-11(8)26-2/h4-6H,1-3H3,(H4,16,17,20)/b18-6-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355599
PNG
(CHEMBL1910753)
Show SMILES Cc1cn2c(\C=N\NC3=[NH+]CC[N-]3)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C16H13ClN7O2S/c1-9-8-23-13(7-20-22-15-18-4-5-19-15)14(21-16(23)27-9)10-2-3-11(17)12(6-10)24(25)26/h2-3,6-8H,4-5H2,1H3,(H-,18,19,22)/q-1/p+1/b20-7+
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n/an/a 2.05E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355600
PNG
(CHEMBL1910754)
Show SMILES CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H17N7O2S/c1-2-3-12-9-22-13(8-19-21-15(17)18)14(20-16(22)26-12)10-4-6-11(7-5-10)23(24)25/h4-9H,2-3H2,1H3,(H4,17,18,21)/b19-8+
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n/an/a 2.10E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355601
PNG
(CHEMBL1910755)
Show SMILES Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C12H10Cl2N6S2/c1-5-4-20-7(3-17-19-11(15)16)9(18-12(20)21-5)6-2-8(13)22-10(6)14/h2-4H,1H3,(H4,15,16,19)/b17-3+
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n/an/a 2.65E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355578
PNG
(CHEMBL1910606)
Show SMILES Cc1cn2c(\C=N/NC(N)=N)c(nc2s1)-c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12FN7O2S/c1-7-6-21-11(5-18-20-13(16)17)12(19-14(21)25-7)8-2-3-9(15)10(4-8)22(23)24/h2-6H,1H3,(H4,16,17,20)/b18-5-
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n/an/a 3.07E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355608
PNG
(CHEMBL1910762)
Show SMILES Cc1csc2nc(c(\C=N\NC(N)=N)n12)-c1cccnc1
Show InChI InChI=1S/C13H13N7S/c1-8-7-21-13-18-11(9-3-2-4-16-5-9)10(20(8)13)6-17-19-12(14)15/h2-7H,1H3,(H4,14,15,19)/b17-6+
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n/an/a 3.43E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355583
PNG
(CHEMBL1910374)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H9ClFN7O2S/c14-10-5-21-9(4-18-20-12(16)17)11(19-13(21)25-10)6-1-2-7(15)8(3-6)22(23)24/h1-5H,(H4,16,17,20)/b18-4+
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n/an/a 4.13E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355602
PNG
(CHEMBL1910756)
Show SMILES Cc1csc2nc(c(\C=N\NC(N)=N)n12)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12ClN7O2S/c1-7-6-25-14-19-12(11(21(7)14)5-18-20-13(16)17)8-2-3-9(15)10(4-8)22(23)24/h2-6H,1H3,(H4,16,17,20)/b18-5+
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n/an/a 4.48E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355574
PNG
(CHEMBL1910748)
Show SMILES Cc1sc2nc(c(\C=N\NC(N)=N)n2c1C)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H14ClN7O2S/c1-7-8(2)26-15-20-13(12(22(7)15)6-19-21-14(17)18)9-3-4-10(16)11(5-9)23(24)25/h3-6H,1-2H3,(H4,17,18,21)/b19-6+
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n/an/a 4.85E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355575
PNG
(CHEMBL1910749)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10Cl2N6S/c14-8-3-1-7(2-4-8)11-9(5-18-20-12(16)17)21-6-10(15)22-13(21)19-11/h1-6H,(H4,16,17,20)/b18-5+
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n/an/a 4.93E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355577
PNG
(CHEMBL1910605)
Show SMILES Cc1cn2c(\C=N/NC(N)=N)c(nc2s1)-c1ccc(F)cc1
Show InChI InChI=1S/C14H13FN6S/c1-8-7-21-11(6-18-20-13(16)17)12(19-14(21)22-8)9-2-4-10(15)5-3-9/h2-7H,1H3,(H4,16,17,20)/b18-6-
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355593
PNG
(CHEMBL1910602)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10FN7O2S/c14-8-2-1-7(5-9(8)21(22)23)11-10(6-17-19-12(15)16)20-3-4-24-13(20)18-11/h1-6H,(H4,15,16,19)/b17-6-
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n/an/a 5.38E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355553
PNG
(CHEMBL1910607)
Show SMILES NC(=N)N\N=C/c1c(nc2sc(F)cn12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10FN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-1-3-8(4-2-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5-
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n/an/a 5.65E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355609
PNG
(CHEMBL1909651)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1ccc(Br)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10BrN7O2S/c14-8-2-1-7(5-9(8)21(22)23)11-10(6-17-19-12(15)16)20-3-4-24-13(20)18-11/h1-6H,(H4,15,16,19)/b17-6-
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n/an/a 5.67E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355576
PNG
(CHEMBL1910750)
Show SMILES Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H13N7O2S/c1-8-7-20-11(6-17-19-13(15)16)12(18-14(20)24-8)9-3-2-4-10(5-9)21(22)23/h2-7H,1H3,(H4,15,16,19)/b17-6+
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n/an/a 5.90E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355604
PNG
(CHEMBL1910758)
Show SMILES CCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C15H13Cl2N7O2S/c1-2-7-6-23-12(5-20-22-14(18)19)13(21-15(23)27-7)8-3-11(24(25)26)10(17)4-9(8)16/h3-6H,2H2,1H3,(H4,18,19,22)/b20-5+
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n/an/a 5.90E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355563
PNG
(CHEMBL1910631)
Show SMILES Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12ClN7O2S/c1-7-6-21-11(5-18-20-13(16)17)12(19-14(21)25-7)8-2-3-9(15)10(4-8)22(23)24/h2-6H,1H3,(H4,16,17,20)/b18-5+
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n/an/a 6.48E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355603
PNG
(CHEMBL1910757)
Show SMILES NC(=N)N\N=C\c1c(nc2sccn12)-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C11H8Cl2N6S2/c12-7-3-5(9(13)21-7)8-6(4-16-18-10(14)15)19-1-2-20-11(19)17-8/h1-4H,(H4,14,15,18)/b16-4+
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n/an/a 6.50E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355560
PNG
(CHEMBL1910628)
Show SMILES NC(=N)N\N=C\c1c(nc2sccn12)-c1ccc(N)cc1
Show InChI InChI=1S/C13H13N7S/c14-9-3-1-8(2-4-9)11-10(7-17-19-12(15)16)20-5-6-21-13(20)18-11/h1-7H,14H2,(H4,15,16,19)/b17-7+
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n/an/a 6.75E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355573
PNG
(CHEMBL1910747)
Show SMILES CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H17N7O2S/c1-2-4-12-9-22-13(8-19-21-15(17)18)14(20-16(22)26-12)10-5-3-6-11(7-10)23(24)25/h3,5-9H,2,4H2,1H3,(H4,17,18,21)/b19-8+
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n/an/a 6.95E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355593
PNG
(CHEMBL1910602)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10FN7O2S/c14-8-2-1-7(5-9(8)21(22)23)11-10(6-17-19-12(15)16)20-3-4-24-13(20)18-11/h1-6H,(H4,15,16,19)/b17-6-
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n/an/a 7.75E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355605
PNG
(CHEMBL1910759)
Show SMILES Cc1nn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H11ClN8O2S/c1-6-20-21-10(5-17-19-12(15)16)11(18-13(21)25-6)7-2-3-8(14)9(4-7)22(23)24/h2-5H,1H3,(H4,15,16,19)/b17-5+
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n/an/a 7.80E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355578
PNG
(CHEMBL1910606)
Show SMILES Cc1cn2c(\C=N/NC(N)=N)c(nc2s1)-c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12FN7O2S/c1-7-6-21-11(5-18-20-13(16)17)12(19-14(21)25-7)8-2-3-9(15)10(4-8)22(23)24/h2-6H,1H3,(H4,16,17,20)/b18-5-
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n/an/a 7.85E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355557
PNG
(CHEMBL1910625)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10ClN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-1-3-8(4-2-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5+
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n/an/a 7.88E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355603
PNG
(CHEMBL1910757)
Show SMILES NC(=N)N\N=C\c1c(nc2sccn12)-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C11H8Cl2N6S2/c12-7-3-5(9(13)21-7)8-6(4-16-18-10(14)15)19-1-2-20-11(19)17-8/h1-4H,(H4,14,15,18)/b16-4+
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n/an/a 7.90E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355559
PNG
(CHEMBL1910627)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(nc2ccccn12)-c1ccc(Cl)c(c1)-[#7+](-[#8-])=O |w:5.5|
Show InChI InChI=1S/C15H12ClN7O2/c16-10-5-4-9(7-11(10)23(24)25)14-12(8-19-21-15(17)18)22-6-2-1-3-13(22)20-14/h1-8H,(H4,17,18,21)
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n/an/a 7.90E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355561
PNG
(CHEMBL1910629)
Show SMILES NC(=N)N\N=C\c1c(nc2sccn12)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10ClN7O2S/c14-8-2-1-7(5-9(8)21(22)23)11-10(6-17-19-12(15)16)20-3-4-24-13(20)18-11/h1-6H,(H4,15,16,19)/b17-6+
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n/an/a 8.10E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355558
PNG
(CHEMBL1910626)
Show SMILES Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H13N7O2S/c1-8-7-20-11(6-17-19-13(15)16)12(18-14(20)24-8)9-2-4-10(5-3-9)21(22)23/h2-7H,1H3,(H4,15,16,19)/b17-6+
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n/an/a 8.30E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355604
PNG
(CHEMBL1910758)
Show SMILES CCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C15H13Cl2N7O2S/c1-2-7-6-23-12(5-20-22-14(18)19)13(21-15(23)27-7)8-3-11(24(25)26)10(17)4-9(8)16/h3-6H,2H2,1H3,(H4,18,19,22)/b20-5+
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n/an/a 8.30E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355602
PNG
(CHEMBL1910756)
Show SMILES Cc1csc2nc(c(\C=N\NC(N)=N)n12)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12ClN7O2S/c1-7-6-25-14-19-12(11(21(7)14)5-18-20-13(16)17)8-2-3-9(15)10(4-8)22(23)24/h2-6H,1H3,(H4,16,17,20)/b18-5+
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n/an/a 8.44E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355585
PNG
(CHEMBL1910373)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(F)cc1
Show InChI InChI=1S/C13H10ClFN6S/c14-10-6-21-9(5-18-20-12(16)17)11(19-13(21)22-10)7-1-3-8(15)4-2-7/h1-6H,(H4,16,17,20)/b18-5+
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n/an/a 8.60E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355550
PNG
(CHEMBL1910608)
Show SMILES NC(=N)N\N=C/c1c(nc2sc(Br)cn12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10BrN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-1-3-8(4-2-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5-
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n/an/a 8.85E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355566
PNG
(CHEMBL1910634)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H9Cl2N7O2S/c14-7-2-1-6(3-8(7)22(23)24)11-9(4-18-20-12(16)17)21-5-10(15)25-13(21)19-11/h1-5H,(H4,16,17,20)/b18-4+
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n/an/a 9.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355585
PNG
(CHEMBL1910373)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(F)cc1
Show InChI InChI=1S/C13H10ClFN6S/c14-10-6-21-9(5-18-20-12(16)17)11(19-13(21)22-10)7-1-3-8(15)4-2-7/h1-6H,(H4,16,17,20)/b18-5+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355570
PNG
(CHEMBL1910744)
Show SMILES CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H16ClN7O2S/c1-2-3-10-8-23-13(7-20-22-15(18)19)14(21-16(23)27-10)9-4-5-11(17)12(6-9)24(25)26/h4-8H,2-3H2,1H3,(H4,18,19,22)/b20-7+
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n/an/a 9.05E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355552
PNG
(CHEMBL1910375)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C14H10ClN7S/c15-11-7-22-10(6-19-21-13(17)18)12(20-14(22)23-11)9-3-1-8(5-16)2-4-9/h1-4,6-7H,(H4,17,18,21)/b19-6+
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n/an/a 9.35E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355605
PNG
(CHEMBL1910759)
Show SMILES Cc1nn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H11ClN8O2S/c1-6-20-21-10(5-17-19-12(15)16)11(18-13(21)25-6)7-2-3-8(14)9(4-7)22(23)24/h2-5H,1H3,(H4,15,16,19)/b17-5+
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n/an/a 9.40E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355562
PNG
(CHEMBL1910630)
Show SMILES COc1cc(c(OC)cc1-c1nc2sccn2c1\C=N\NC(N)=N)[N+]([O-])=O
Show InChI InChI=1S/C15H15N7O4S/c1-25-11-6-9(22(23)24)12(26-2)5-8(11)13-10(7-18-20-14(16)17)21-3-4-27-15(21)19-13/h3-7H,1-2H3,(H4,16,17,20)/b18-7+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355606
PNG
(CHEMBL1910760)
Show SMILES Cc1sc2nc(c(\C=N\NC(N)=N)n2c1C)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C15H13Cl2N7O2S/c1-6-7(2)27-15-21-13(12(23(6)15)5-20-22-14(18)19)8-3-11(24(25)26)10(17)4-9(8)16/h3-5H,1-2H3,(H4,18,19,22)/b20-5+
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n/an/a 9.85E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355559
PNG
(CHEMBL1910627)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(nc2ccccn12)-c1ccc(Cl)c(c1)-[#7+](-[#8-])=O |w:5.5|
Show InChI InChI=1S/C15H12ClN7O2/c16-10-5-4-9(7-11(10)23(24)25)14-12(8-19-21-15(17)18)22-6-2-1-3-13(22)20-14/h1-8H,(H4,17,18,21)
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355563
PNG
(CHEMBL1910631)
Show SMILES Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12ClN7O2S/c1-7-6-21-11(5-18-20-13(16)17)12(19-14(21)25-7)8-2-3-9(15)10(4-8)22(23)24/h2-6H,1H3,(H4,16,17,20)/b18-5+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355597
PNG
(CHEMBL1910751)
Show SMILES Cc1cn2c(\C=N\NC(=N)NN)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H13ClN8O2S/c1-7-6-22-11(5-18-21-13(16)20-17)12(19-14(22)26-7)8-2-3-9(15)10(4-8)23(24)25/h2-6H,17H2,1H3,(H3,16,20,21)/b18-5+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355598
PNG
(CHEMBL1910752)
Show SMILES NC(=N)N\N=C\c1c(nc2sccn12)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N7O2S/c14-12(15)18-16-7-10-11(17-13-19(10)4-5-23-13)8-2-1-3-9(6-8)20(21)22/h1-7H,(H4,14,15,18)/b16-7+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355607
PNG
(CHEMBL1910761)
Show SMILES Cc1sc2nc(c(\C=N\NC(N)=N)n2c1C)-c1cccnc1
Show InChI InChI=1S/C14H15N7S/c1-8-9(2)22-14-19-12(10-4-3-5-17-6-10)11(21(8)14)7-18-20-13(15)16/h3-7H,1-2H3,(H4,15,16,20)/b18-7+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355590
PNG
(CHEMBL1910599)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1c(F)cccc1F |(-8.3,-22.83,;-6.76,-22.81,;-6,-21.47,;-5.97,-24.14,;-4.43,-24.12,;-3.65,-25.45,;-4.15,-26.91,;-3.26,-28.17,;-4.19,-29.4,;-5.64,-28.9,;-7.11,-29.36,;-8,-28.1,;-7.08,-26.86,;-5.62,-27.36,;-1.72,-28.18,;-.97,-29.52,;-1.75,-30.85,;.57,-29.54,;1.36,-28.21,;.59,-26.87,;-.94,-26.86,;-1.71,-25.52,)|
Show InChI InChI=1S/C13H10F2N6S/c14-7-2-1-3-8(15)10(7)11-9(6-18-20-12(16)17)21-4-5-22-13(21)19-11/h1-6H,(H4,16,17,20)/b18-6-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355606
PNG
(CHEMBL1910760)
Show SMILES Cc1sc2nc(c(\C=N\NC(N)=N)n2c1C)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C15H13Cl2N7O2S/c1-6-7(2)27-15-21-13(12(23(6)15)5-20-22-14(18)19)8-3-11(24(25)26)10(17)4-9(8)16/h3-5H,1-2H3,(H4,18,19,22)/b20-5+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355561
PNG
(CHEMBL1910629)
Show SMILES NC(=N)N\N=C\c1c(nc2sccn12)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10ClN7O2S/c14-8-2-1-7(5-9(8)21(22)23)11-10(6-17-19-12(15)16)20-3-4-24-13(20)18-11/h1-6H,(H4,15,16,19)/b17-6+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355570
PNG
(CHEMBL1910744)
Show SMILES CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H16ClN7O2S/c1-2-3-10-8-23-13(7-20-22-15(18)19)14(21-16(23)27-10)9-4-5-11(17)12(6-9)24(25)26/h4-8H,2-3H2,1H3,(H4,18,19,22)/b20-7+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355564
PNG
(CHEMBL1910632)
Show SMILES Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C14H11Cl2N7O2S/c1-6-5-22-11(4-19-21-13(17)18)12(20-14(22)26-6)7-2-10(23(24)25)9(16)3-8(7)15/h2-5H,1H3,(H4,17,18,21)/b19-4+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355552
PNG
(CHEMBL1910375)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C14H10ClN7S/c15-11-7-22-10(6-19-21-13(17)18)12(20-14(22)23-11)9-3-1-8(5-16)2-4-9/h1-4,6-7H,(H4,17,18,21)/b19-6+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355600
PNG
(CHEMBL1910754)
Show SMILES CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H17N7O2S/c1-2-3-12-9-22-13(8-19-21-15(17)18)14(20-16(22)26-12)10-4-6-11(7-5-10)23(24)25/h4-9H,2-3H2,1H3,(H4,17,18,21)/b19-8+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355593
PNG
(CHEMBL1910602)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10FN7O2S/c14-8-2-1-7(5-9(8)21(22)23)11-10(6-17-19-12(15)16)20-3-4-24-13(20)18-11/h1-6H,(H4,15,16,19)/b17-6-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355581
PNG
(CHEMBL1910617)
Show SMILES Clc1cc(c(Cl)s1)-c1nc2sc3ccccc3n2c1\C=N\NC1=NCCN1 |t:26|
Show InChI InChI=1S/C17H12Cl2N6S2/c18-13-7-9(15(19)27-13)14-11(8-22-24-16-20-5-6-21-16)25-10-3-1-2-4-12(10)26-17(25)23-14/h1-4,7-8H,5-6H2,(H2,20,21,24)/b22-8+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355564
PNG
(CHEMBL1910632)
Show SMILES Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C14H11Cl2N7O2S/c1-6-5-22-11(4-19-21-13(17)18)12(20-14(22)26-6)7-2-10(23(24)25)9(16)3-8(7)15/h2-5H,1H3,(H4,17,18,21)/b19-4+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355568
PNG
(CHEMBL1910636)
Show SMILES CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C16H15Cl2N7O2S/c1-2-3-8-7-24-13(6-21-23-15(19)20)14(22-16(24)28-8)9-4-12(25(26)27)11(18)5-10(9)17/h4-7H,2-3H2,1H3,(H4,19,20,23)/b21-6+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355595
PNG
(CHEMBL1910604)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N6S/c15-14(16,17)9-3-1-2-8(6-9)11-10(7-20-22-12(18)19)23-4-5-24-13(23)21-11/h1-7H,(H4,18,19,22)/b20-7-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355567
PNG
(CHEMBL1910635)
Show SMILES NC(=N)N\N=C\c1c(nc2sccn12)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H9Cl2N7O2S/c14-7-4-8(15)9(22(23)24)3-6(7)11-10(5-18-20-12(16)17)21-1-2-25-13(21)19-11/h1-5H,(H4,16,17,20)/b18-5+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355576
PNG
(CHEMBL1910750)
Show SMILES Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H13N7O2S/c1-8-7-20-11(6-17-19-13(15)16)12(18-14(20)24-8)9-3-2-4-10(5-9)21(22)23/h2-7H,1H3,(H4,15,16,19)/b17-6+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355556
PNG
(CHEMBL1910623)
Show SMILES COc1cc(c(OC)cc1-c1nc2ccccn2c1C=N[NH+]=C(N)[NH-])[N+]([O-])=O |w:19.21,21.23|
Show InChI InChI=1S/C17H16N7O4/c1-27-13-8-11(24(25)26)14(28-2)7-10(13)16-12(9-20-22-17(18)19)23-6-4-3-5-15(23)21-16/h3-9H,1-2H3,(H3-,18,19,22)/q-1/p+1
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355589
PNG
(CHEMBL1910598)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1ccccc1F
Show InChI InChI=1S/C13H11FN6S/c14-9-4-2-1-3-8(9)11-10(7-17-19-12(15)16)20-5-6-21-13(20)18-11/h1-7H,(H4,15,16,19)/b17-7-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355591
PNG
(CHEMBL1910600)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C13H10F2N6S/c14-8-2-1-7(5-9(8)15)11-10(6-18-20-12(16)17)21-3-4-22-13(21)19-11/h1-6H,(H4,16,17,20)/b18-6-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355595
PNG
(CHEMBL1910604)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N6S/c15-14(16,17)9-3-1-2-8(6-9)11-10(7-20-22-12(18)19)23-4-5-24-13(23)21-11/h1-7H,(H4,18,19,22)/b20-7-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355584
PNG
(CHEMBL1910372)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccccc1
Show InChI InChI=1S/C13H11ClN6S/c14-10-7-20-9(6-17-19-12(15)16)11(18-13(20)21-10)8-4-2-1-3-5-8/h1-7H,(H4,15,16,19)/b17-6+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355588
PNG
(CHEMBL1910597)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1ccc(F)cc1
Show InChI InChI=1S/C13H11FN6S/c14-9-3-1-8(2-4-9)11-10(7-17-19-12(15)16)20-5-6-21-13(20)18-11/h1-7H,(H4,15,16,19)/b17-7-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355573
PNG
(CHEMBL1910747)
Show SMILES CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H17N7O2S/c1-2-4-12-9-22-13(8-19-21-15(17)18)14(20-16(22)26-12)10-5-3-6-11(7-10)23(24)25/h3,5-9H,2,4H2,1H3,(H4,17,18,21)/b19-8+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355574
PNG
(CHEMBL1910748)
Show SMILES Cc1sc2nc(c(\C=N\NC(N)=N)n2c1C)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H14ClN7O2S/c1-7-8(2)26-15-20-13(12(22(7)15)6-19-21-14(17)18)9-3-4-10(16)11(5-9)23(24)25/h3-6H,1-2H3,(H4,17,18,21)/b19-6+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355577
PNG
(CHEMBL1910605)
Show SMILES Cc1cn2c(\C=N/NC(N)=N)c(nc2s1)-c1ccc(F)cc1
Show InChI InChI=1S/C14H13FN6S/c1-8-7-21-11(6-18-20-13(16)17)12(19-14(21)22-8)9-2-4-10(15)5-3-9/h2-7H,1H3,(H4,16,17,20)/b18-6-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355594
PNG
(CHEMBL1910603)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1cccc(c1F)[N+]([O-])=O
Show InChI InChI=1S/C13H10FN7O2S/c14-10-7(2-1-3-8(10)21(22)23)11-9(6-17-19-12(15)16)20-4-5-24-13(20)18-11/h1-6H,(H4,15,16,19)/b17-6-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355601
PNG
(CHEMBL1910755)
Show SMILES Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C12H10Cl2N6S2/c1-5-4-20-7(3-17-19-11(15)16)9(18-12(20)21-5)6-2-8(13)22-10(6)14/h2-4H,1H3,(H4,15,16,19)/b17-3+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355582
PNG
(CHEMBL1910622)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(nc2ccccn12)-c1cc(Cl)sc1Cl |w:5.5|
Show InChI InChI=1S/C13H10Cl2N6S/c14-9-5-7(12(15)22-9)11-8(6-18-20-13(16)17)21-4-2-1-3-10(21)19-11/h1-6H,(H4,16,17,20)
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355551
PNG
(CHEMBL1910371)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C11H7Cl3N6S2/c12-6-1-4(9(14)21-6)8-5(2-17-19-10(15)16)20-3-7(13)22-11(20)18-8/h1-3H,(H4,15,16,19)/b17-2+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355569
PNG
(CHEMBL1910637)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10ClN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-2-1-3-8(4-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355572
PNG
(CHEMBL1910746)
Show SMILES COc1cc(c(OC)cc1-c1nc2sc(Cl)cn2c1\C=N\NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1cc(OC)c(cc1OC)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C29H23Cl2N11O8S2/c1-47-19-7-15(41(43)44)21(49-3)5-13(19)25-17(39-11-23(30)51-28(39)35-25)9-33-37-27(32)38-34-10-18-26(36-29-40(18)12-24(31)52-29)14-6-22(50-4)16(42(45)46)8-20(14)48-2/h5-12H,1-4H3,(H3,32,37,38)/b33-9+,34-10+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355591
PNG
(CHEMBL1910600)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C13H10F2N6S/c14-8-2-1-7(5-9(8)15)11-10(6-18-20-12(16)17)21-3-4-22-13(21)19-11/h1-6H,(H4,16,17,20)/b18-6-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355592
PNG
(CHEMBL1910601)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C13H9F3N6S/c14-7-4-9(16)8(15)3-6(7)11-10(5-19-21-12(17)18)22-1-2-23-13(22)20-11/h1-5H,(H4,17,18,21)/b19-5-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355571
PNG
(CHEMBL1910745)
Show SMILES NC(=N)N\N=C\c1c(nc2sc3ccccc3n12)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H12ClN7O2S/c18-10-6-5-9(7-12(10)25(26)27)15-13(8-21-23-16(19)20)24-11-3-1-2-4-14(11)28-17(24)22-15/h1-8H,(H4,19,20,23)/b21-8+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355551
PNG
(CHEMBL1910371)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C11H7Cl3N6S2/c12-6-1-4(9(14)21-6)8-5(2-17-19-10(15)16)20-3-7(13)22-11(20)18-8/h1-3H,(H4,15,16,19)/b17-2+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355583
PNG
(CHEMBL1910374)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H9ClFN7O2S/c14-10-5-21-9(4-18-20-12(16)17)11(19-13(21)25-10)6-1-2-7(15)8(3-6)22(23)24/h1-5H,(H4,16,17,20)/b18-4+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355557
PNG
(CHEMBL1910625)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10ClN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-1-3-8(4-2-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355608
PNG
(CHEMBL1910762)
Show SMILES Cc1csc2nc(c(\C=N\NC(N)=N)n12)-c1cccnc1
Show InChI InChI=1S/C13H13N7S/c1-8-7-21-13-18-11(9-3-2-4-16-5-9)10(20(8)13)6-17-19-12(14)15/h2-7H,1H3,(H4,14,15,19)/b17-6+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355553
PNG
(CHEMBL1910607)
Show SMILES NC(=N)N\N=C/c1c(nc2sc(F)cn12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10FN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-1-3-8(4-2-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355609
PNG
(CHEMBL1909651)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1ccc(Br)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10BrN7O2S/c14-8-2-1-7(5-9(8)21(22)23)11-10(6-17-19-12(15)16)20-3-4-24-13(20)18-11/h1-6H,(H4,15,16,19)/b17-6-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355580
PNG
(CHEMBL1910610)
Show SMILES Cc1nn2c(\C=N\NC3=NCCN3)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C15H13ClN8O2S/c1-8-22-23-12(7-19-21-14-17-4-5-18-14)13(20-15(23)27-8)9-2-3-10(16)11(6-9)24(25)26/h2-3,6-7H,4-5H2,1H3,(H2,17,18,21)/b19-7+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355567
PNG
(CHEMBL1910635)
Show SMILES NC(=N)N\N=C\c1c(nc2sccn12)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H9Cl2N7O2S/c14-7-4-8(15)9(22(23)24)3-6(7)11-10(5-18-20-12(16)17)21-1-2-25-13(21)19-11/h1-5H,(H4,16,17,20)/b18-5+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355589
PNG
(CHEMBL1910598)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1ccccc1F
Show InChI InChI=1S/C13H11FN6S/c14-9-4-2-1-3-8(9)11-10(7-17-19-12(15)16)20-5-6-21-13(20)18-11/h1-7H,(H4,15,16,19)/b17-7-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355568
PNG
(CHEMBL1910636)
Show SMILES CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C16H15Cl2N7O2S/c1-2-3-8-7-24-13(6-21-23-15(19)20)14(22-16(24)28-8)9-4-12(25(26)27)11(18)5-10(9)17/h4-7H,2-3H2,1H3,(H4,19,20,23)/b21-6+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355562
PNG
(CHEMBL1910630)
Show SMILES COc1cc(c(OC)cc1-c1nc2sccn2c1\C=N\NC(N)=N)[N+]([O-])=O
Show InChI InChI=1S/C15H15N7O4S/c1-25-11-6-9(22(23)24)12(26-2)5-8(11)13-10(7-18-20-14(16)17)21-3-4-27-15(21)19-13/h3-7H,1-2H3,(H4,16,17,20)/b18-7+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355572
PNG
(CHEMBL1910746)
Show SMILES COc1cc(c(OC)cc1-c1nc2sc(Cl)cn2c1\C=N\NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1cc(OC)c(cc1OC)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C29H23Cl2N11O8S2/c1-47-19-7-15(41(43)44)21(49-3)5-13(19)25-17(39-11-23(30)51-28(39)35-25)9-33-37-27(32)38-34-10-18-26(36-29-40(18)12-24(31)52-29)14-6-22(50-4)16(42(45)46)8-20(14)48-2/h5-12H,1-4H3,(H3,32,37,38)/b33-9+,34-10+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355599
PNG
(CHEMBL1910753)
Show SMILES Cc1cn2c(\C=N\NC3=[NH+]CC[N-]3)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C16H13ClN7O2S/c1-9-8-23-13(7-20-22-15-18-4-5-19-15)14(21-16(23)27-9)10-2-3-11(17)12(6-10)24(25)26/h2-3,6-8H,4-5H2,1H3,(H-,18,19,22)/q-1/p+1/b20-7+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355601
PNG
(CHEMBL1910755)
Show SMILES Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C12H10Cl2N6S2/c1-5-4-20-7(3-17-19-11(15)16)9(18-12(20)21-5)6-2-8(13)22-10(6)14/h2-4H,1H3,(H4,15,16,19)/b17-3+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355586
PNG
(CHEMBL1910376)
Show SMILES Cc1nn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C11H9Cl2N7S2/c1-4-19-20-6(3-16-18-10(14)15)8(17-11(20)21-4)5-2-7(12)22-9(5)13/h2-3H,1H3,(H4,14,15,18)/b16-3+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355587
PNG
(CHEMBL1910595)
Show SMILES COc1cc(c(OC)cc1-c1nc2sc(C)nn2c1\C=N/NC(N)=N)[N+]([O-])=O
Show InChI InChI=1S/C15H16N8O4S/c1-7-21-22-10(6-18-20-14(16)17)13(19-15(22)28-7)8-4-12(27-3)9(23(24)25)5-11(8)26-2/h4-6H,1-3H3,(H4,16,17,20)/b18-6-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355590
PNG
(CHEMBL1910599)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1c(F)cccc1F |(-8.3,-22.83,;-6.76,-22.81,;-6,-21.47,;-5.97,-24.14,;-4.43,-24.12,;-3.65,-25.45,;-4.15,-26.91,;-3.26,-28.17,;-4.19,-29.4,;-5.64,-28.9,;-7.11,-29.36,;-8,-28.1,;-7.08,-26.86,;-5.62,-27.36,;-1.72,-28.18,;-.97,-29.52,;-1.75,-30.85,;.57,-29.54,;1.36,-28.21,;.59,-26.87,;-.94,-26.86,;-1.71,-25.52,)|
Show InChI InChI=1S/C13H10F2N6S/c14-7-2-1-3-8(15)10(7)11-9(6-18-20-12(16)17)21-4-5-22-13(21)19-11/h1-6H,(H4,16,17,20)/b18-6-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355566
PNG
(CHEMBL1910634)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H9Cl2N7O2S/c14-7-2-1-6(3-8(7)22(23)24)11-9(4-18-20-12(16)17)21-5-10(15)25-13(21)19-11/h1-5H,(H4,16,17,20)/b18-4+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355560
PNG
(CHEMBL1910628)
Show SMILES NC(=N)N\N=C\c1c(nc2sccn12)-c1ccc(N)cc1
Show InChI InChI=1S/C13H13N7S/c14-9-3-1-8(2-4-9)11-10(7-17-19-12(15)16)20-5-6-21-13(20)18-11/h1-7H,14H2,(H4,15,16,19)/b17-7+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355558
PNG
(CHEMBL1910626)
Show SMILES Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H13N7O2S/c1-8-7-20-11(6-17-19-13(15)16)12(18-14(20)24-8)9-2-4-10(5-3-9)21(22)23/h2-7H,1H3,(H4,15,16,19)/b17-6+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355585
PNG
(CHEMBL1910373)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(F)cc1
Show InChI InChI=1S/C13H10ClFN6S/c14-10-6-21-9(5-18-20-12(16)17)11(19-13(21)22-10)7-1-3-8(15)4-2-7/h1-6H,(H4,16,17,20)/b18-5+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355554
PNG
(CHEMBL1910616)
Show SMILES NC(=N)N\N=C\c1c(nc2sc3ccccc3n12)-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C15H10Cl2N6S2/c16-11-5-7(13(17)25-11)12-9(6-20-22-14(18)19)23-8-3-1-2-4-10(8)24-15(23)21-12/h1-6H,(H4,18,19,22)/b20-6+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355550
PNG
(CHEMBL1910608)
Show SMILES NC(=N)N\N=C/c1c(nc2sc(Br)cn12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10BrN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-1-3-8(4-2-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355588
PNG
(CHEMBL1910597)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1ccc(F)cc1
Show InChI InChI=1S/C13H11FN6S/c14-9-3-1-8(2-4-9)11-10(7-17-19-12(15)16)20-5-6-21-13(20)18-11/h1-7H,(H4,15,16,19)/b17-7-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355608
PNG
(CHEMBL1910762)
Show SMILES Cc1csc2nc(c(\C=N\NC(N)=N)n12)-c1cccnc1
Show InChI InChI=1S/C13H13N7S/c1-8-7-21-13-18-11(9-3-2-4-16-5-9)10(20(8)13)6-17-19-12(14)15/h2-7H,1H3,(H4,14,15,19)/b17-6+
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355592
PNG
(CHEMBL1910601)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C13H9F3N6S/c14-7-4-9(16)8(15)3-6(7)11-10(5-19-21-12(17)18)22-1-2-23-13(22)20-11/h1-5H,(H4,17,18,21)/b19-5-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355609
PNG
(CHEMBL1909651)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1ccc(Br)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10BrN7O2S/c14-8-2-1-7(5-9(8)21(22)23)11-10(6-17-19-12(15)16)20-3-4-24-13(20)18-11/h1-6H,(H4,15,16,19)/b17-6-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355598
PNG
(CHEMBL1910752)
Show SMILES NC(=N)N\N=C\c1c(nc2sccn12)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N7O2S/c14-12(15)18-16-7-10-11(17-13-19(10)4-5-23-13)8-2-1-3-9(6-8)20(21)22/h1-7H,(H4,14,15,18)/b16-7+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355577
PNG
(CHEMBL1910605)
Show SMILES Cc1cn2c(\C=N/NC(N)=N)c(nc2s1)-c1ccc(F)cc1
Show InChI InChI=1S/C14H13FN6S/c1-8-7-21-11(6-18-20-13(16)17)12(19-14(21)22-8)9-2-4-10(15)5-3-9/h2-7H,1H3,(H4,16,17,20)/b18-6-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355581
PNG
(CHEMBL1910617)
Show SMILES Clc1cc(c(Cl)s1)-c1nc2sc3ccccc3n2c1\C=N\NC1=NCCN1 |t:26|
Show InChI InChI=1S/C17H12Cl2N6S2/c18-13-7-9(15(19)27-13)14-11(8-22-24-16-20-5-6-21-16)25-10-3-1-2-4-12(10)26-17(25)23-14/h1-4,7-8H,5-6H2,(H2,20,21,24)/b22-8+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355554
PNG
(CHEMBL1910616)
Show SMILES NC(=N)N\N=C\c1c(nc2sc3ccccc3n12)-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C15H10Cl2N6S2/c16-11-5-7(13(17)25-11)12-9(6-20-22-14(18)19)23-8-3-1-2-4-10(8)24-15(23)21-12/h1-6H,(H4,18,19,22)/b20-6+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355571
PNG
(CHEMBL1910745)
Show SMILES NC(=N)N\N=C\c1c(nc2sc3ccccc3n12)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H12ClN7O2S/c18-10-6-5-9(7-12(10)25(26)27)15-13(8-21-23-16(19)20)24-11-3-1-2-4-14(11)28-17(24)22-15/h1-8H,(H4,19,20,23)/b21-8+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355594
PNG
(CHEMBL1910603)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1cccc(c1F)[N+]([O-])=O
Show InChI InChI=1S/C13H10FN7O2S/c14-10-7(2-1-3-8(10)21(22)23)11-9(6-17-19-12(15)16)20-4-5-24-13(20)18-11/h1-6H,(H4,15,16,19)/b17-6-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355596
PNG
(CHEMBL1910624)
Show SMILES Clc1cc(c(Cl)s1)-c1nc2ccccn2c1-[#6]=[#7]\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1 |w:16.18|
Show InChI InChI=1S/C15H12Cl2N6S/c16-11-7-9(14(17)24-11)13-10(8-20-22-15-18-4-5-19-15)23-6-2-1-3-12(23)21-13/h1-3,6-8H,4-5H2,(H2,18,19,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355565
PNG
(CHEMBL1910633)
Show SMILES NC(=N)N\N=C\c1c(nc2sccn12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N7O2S/c14-12(15)18-16-7-10-11(17-13-19(10)5-6-23-13)8-1-3-9(4-2-8)20(21)22/h1-7H,(H4,14,15,18)/b16-7+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355602
PNG
(CHEMBL1910756)
Show SMILES Cc1csc2nc(c(\C=N\NC(N)=N)n12)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12ClN7O2S/c1-7-6-25-14-19-12(11(21(7)14)5-18-20-13(16)17)8-2-3-9(15)10(4-8)22(23)24/h2-6H,1H3,(H4,16,17,20)/b18-5+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355603
PNG
(CHEMBL1910757)
Show SMILES NC(=N)N\N=C\c1c(nc2sccn12)-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C11H8Cl2N6S2/c12-7-3-5(9(13)21-7)8-6(4-16-18-10(14)15)19-1-2-20-11(19)17-8/h1-4H,(H4,14,15,18)/b16-4+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355555
PNG
(CHEMBL1910614)
Show SMILES COc1cc(c(OC)cc1-c1nc2sc3ccccc3n2c1\C=N\[NH+]=C(\N)[NH-])[N+]([O-])=O
Show InChI InChI=1S/C19H16N7O4S/c1-29-14-8-12(26(27)28)15(30-2)7-10(14)17-13(9-22-24-18(20)21)25-11-5-3-4-6-16(11)31-19(25)23-17/h3-9H,1-2H3,(H3-,20,21,24)/q-1/p+1/b22-9+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355569
PNG
(CHEMBL1910637)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10ClN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-2-1-3-8(4-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355607
PNG
(CHEMBL1910761)
Show SMILES Cc1sc2nc(c(\C=N\NC(N)=N)n2c1C)-c1cccnc1
Show InChI InChI=1S/C14H15N7S/c1-8-9(2)22-14-19-12(10-4-3-5-17-6-10)11(21(8)14)7-18-20-13(15)16/h3-7H,1-2H3,(H4,15,16,20)/b18-7+
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355584
PNG
(CHEMBL1910372)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccccc1
Show InChI InChI=1S/C13H11ClN6S/c14-10-7-20-9(6-17-19-12(15)16)11(18-13(20)21-10)8-4-2-1-3-5-8/h1-7H,(H4,15,16,19)/b17-6+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355588
PNG
(CHEMBL1910597)
Show SMILES NC(=N)N\N=C/c1c(nc2sccn12)-c1ccc(F)cc1
Show InChI InChI=1S/C13H11FN6S/c14-9-3-1-8(2-4-9)11-10(7-17-19-12(15)16)20-5-6-21-13(20)18-11/h1-7H,(H4,15,16,19)/b17-7-
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355597
PNG
(CHEMBL1910751)
Show SMILES Cc1cn2c(\C=N\NC(=N)NN)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H13ClN8O2S/c1-7-6-22-11(5-18-21-13(16)20-17)12(19-14(22)26-7)8-2-3-9(15)10(4-8)23(24)25/h2-6H,17H2,1H3,(H3,16,20,21)/b18-5+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355599
PNG
(CHEMBL1910753)
Show SMILES Cc1cn2c(\C=N\NC3=[NH+]CC[N-]3)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C16H13ClN7O2S/c1-9-8-23-13(7-20-22-15-18-4-5-19-15)14(21-16(23)27-9)10-2-3-11(17)12(6-10)24(25)26/h2-3,6-8H,4-5H2,1H3,(H-,18,19,22)/q-1/p+1/b20-7+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355600
PNG
(CHEMBL1910754)
Show SMILES CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H17N7O2S/c1-2-3-12-9-22-13(8-19-21-15(17)18)14(20-16(22)26-12)10-4-6-11(7-5-10)23(24)25/h4-9H,2-3H2,1H3,(H4,17,18,21)/b19-8+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355579
PNG
(CHEMBL1910609)
Show SMILES Clc1cc(c(Cl)s1)-c1nc2sc(Cl)cn2c1\C=N\NC1=NCCN1 |t:22|
Show InChI InChI=1S/C13H9Cl3N6S2/c14-8-3-6(11(16)23-8)10-7(4-19-21-12-17-1-2-18-12)22-5-9(15)24-13(22)20-10/h3-5H,1-2H2,(H2,17,18,21)/b19-4+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355555
PNG
(CHEMBL1910614)
Show SMILES COc1cc(c(OC)cc1-c1nc2sc3ccccc3n2c1\C=N\[NH+]=C(\N)[NH-])[N+]([O-])=O
Show InChI InChI=1S/C19H16N7O4S/c1-29-14-8-12(26(27)28)15(30-2)7-10(14)17-13(9-22-24-18(20)21)25-11-5-3-4-6-16(11)31-19(25)23-17/h3-9H,1-2H3,(H3-,20,21,24)/q-1/p+1/b22-9+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355556
PNG
(CHEMBL1910623)
Show SMILES COc1cc(c(OC)cc1-c1nc2ccccn2c1C=N[NH+]=C(N)[NH-])[N+]([O-])=O |w:19.21,21.23|
Show InChI InChI=1S/C17H16N7O4/c1-27-13-8-11(24(25)26)14(28-2)7-10(13)16-12(9-20-22-17(18)19)23-6-4-3-5-15(23)21-16/h3-9H,1-2H3,(H3-,18,19,22)/q-1/p+1
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355565
PNG
(CHEMBL1910633)
Show SMILES NC(=N)N\N=C\c1c(nc2sccn12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N7O2S/c14-12(15)18-16-7-10-11(17-13-19(10)5-6-23-13)8-1-3-9(4-2-8)20(21)22/h1-7H,(H4,14,15,18)/b16-7+
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50355575
PNG
(CHEMBL1910749)
Show SMILES NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10Cl2N6S/c14-8-3-1-7(2-4-8)11-9(5-18-20-12(16)17)21-6-10(15)22-13(21)19-11/h1-6H,(H4,16,17,20)/b18-5+
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n/an/a>7.90E+6n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%