Found 194 hits Enz. Inhib. hit(s) with all data for entry = 50034023 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM2579
((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 | PDB
MMDB
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| n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-1
(Homo sapiens (Human)) | BDBM2579
((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 | PDB
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| n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM2579
((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 | PDB
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| n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM2579
((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 | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM2579
((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 | PDB
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| n/a | n/a | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a |
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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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM13216
(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) | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM13216
(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) | PDB
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Article
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM2579
((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 | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM2579
((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 | PDB
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| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM2579
((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 | PDB
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| Article
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| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM2579
((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 | PDB
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PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM4814
(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- | PDB
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| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM4814
(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- | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM4814
(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- | PDB
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM4814
(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- | PDB
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| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-1
(Homo sapiens (Human)) | BDBM4814
(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- | PDB
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PubMed
| n/a | n/a | 131 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM4814
(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- | PDB
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CHEMBL
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MCE
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| Article
PubMed
| n/a | n/a | 153 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM4814
(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- | PDB
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CHEMBL
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PC cid
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| Article
PubMed
| n/a | n/a | 184 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM2579
((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 | PDB
MMDB
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UniChem
Patents
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| Article
PubMed
| n/a | n/a | 405 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355550
(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- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 607 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355557
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-1
(Homo sapiens (Human)) | BDBM50355550
(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- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355550
(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- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM4814
(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- | PDB
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Reactome pathway
KEGG
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CHEMBL
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Patents
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| Article
PubMed
| n/a | n/a | 1.84E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50355550
(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- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.96E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355553
(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- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.15E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM13216
(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) | PDB
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NCI pathway
Reactome pathway
KEGG
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CHEMBL
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PC cid
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Patents
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| Article
PubMed
| n/a | n/a | 2.63E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355558
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355559
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.89E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355560
(CHEMBL1910628)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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355561
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.13E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355562
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.58E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355563
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.76E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355583
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.93E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355564
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.53E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355565
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.66E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355566
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.85E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355567
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.93E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355568
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.97E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355569
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.03E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355570
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.43E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50355607
(CHEMBL1910761)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+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.58E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355571
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.32E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355556
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355551
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.26E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355552
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.55E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355555
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355572
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.14E+4 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355554
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50355573
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.33E+4 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NG4R1D |
More data for this
Ligand-Target Pair | |
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