BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 205 hits with Last Name = 'scudiero' and Initial = 'd'   
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
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
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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
More data for this
Ligand-Target Pair
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
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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
More data for this
Ligand-Target Pair
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
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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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
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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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
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

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
More data for this
Ligand-Target Pair
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
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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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
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

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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
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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
More data for this
Ligand-Target Pair
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-
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
More data for this
Ligand-Target Pair
Checkpoint 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
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

NCI pathway
Reactome pathway
KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 80n/an/an/an/a7.530



NIH



Assay Description
NSC 109555 was diluted in water. All other drugs were dissolved in DMSO, in which case the final DMSO concentration in reactions was 10%, and the con...


Mol Pharmacol 72: 876-84 (2007)


Article DOI: 10.1124/mol.107.035832
BindingDB Entry DOI: 10.7270/Q2J67F9Q
More data for this
Ligand-Target Pair
Checkpoint Kinase (Chk2)


(Homo sapiens (Human))
BDBM34064
PNG
(2-arylbenzimidazole | CHEMBL179583)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 100n/an/an/an/a7.530



NIH



Assay Description
NSC 109555 was diluted in water. All other drugs were dissolved in DMSO, in which case the final DMSO concentration in reactions was 10%, and the con...


Mol Pharmacol 72: 876-84 (2007)


Article DOI: 10.1124/mol.107.035832
BindingDB Entry DOI: 10.7270/Q2J67F9Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
More data for this
Ligand-Target Pair
Checkpoint Kinase (Chk2)


(Homo sapiens (Human))
BDBM34063
PNG
(DDUG | NSC 109555 | diacetyldiphenylurea bisguanyl...)
Show SMILES CC(=NN=C(N)N)c1ccc(NC(=O)Nc2ccc(cc2)C(C)=NN=C(N)N)cc1
Show InChI InChI=1S/C19H24N10O/c1-11(26-28-17(20)21)13-3-7-15(8-4-13)24-19(30)25-16-9-5-14(6-10-16)12(2)27-29-18(22)23/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 200n/an/an/an/a7.223



NIH



Assay Description
The IMAP Screening Express Kit (Molecular Devices, Sunnyvale, CA) was used for the high-throughput screening experiments. Compounds from the Developm...


Mol Pharmacol 72: 876-84 (2007)


Article DOI: 10.1124/mol.107.035832
BindingDB Entry DOI: 10.7270/Q2J67F9Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Checkpoint Kinase (Chk2)


(Homo sapiens (Human))
BDBM34063
PNG
(DDUG | NSC 109555 | diacetyldiphenylurea bisguanyl...)
Show SMILES CC(=NN=C(N)N)c1ccc(NC(=O)Nc2ccc(cc2)C(C)=NN=C(N)N)cc1
Show InChI InChI=1S/C19H24N10O/c1-11(26-28-17(20)21)13-3-7-15(8-4-13)24-19(30)25-16-9-5-14(6-10-16)12(2)27-29-18(22)23/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 240n/an/an/an/a7.530



NIH



Assay Description
NSC 109555 was diluted in water. All other drugs were dissolved in DMSO, in which case the final DMSO concentration in reactions was 10%, and the con...


Mol Pharmacol 72: 876-84 (2007)


Article DOI: 10.1124/mol.107.035832
BindingDB Entry DOI: 10.7270/Q2J67F9Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
More data for this
Ligand-Target Pair
Checkpoint Kinase (Chk2)


(Homo sapiens (Human))
BDBM16591
PNG
((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 420n/an/an/an/a7.530



NIH



Assay Description
NSC 109555 was diluted in water. All other drugs were dissolved in DMSO, in which case the final DMSO concentration in reactions was 10%, and the con...


Mol Pharmacol 72: 876-84 (2007)


Article DOI: 10.1124/mol.107.035832
BindingDB Entry DOI: 10.7270/Q2J67F9Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355559
PNG
(CHEMBL1910627)
Show SMILES NC(N)=NN=Cc1c(nc2ccccn12)-c1ccc(Cl)c(c1)[N+]([O-])=O
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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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
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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NG4R1D
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 205 total )  |  Next  |  Last  >>
Jump to: