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5 similar compounds to monomer 50395892

Compile data set for download or QSAR
Wt: 291.3
BDBM7453
Wt: 305.3
BDBM7454
Wt: 291.3
BDBM50395889
Wt: 305.3
BDBM50395891
Wt: 327.3
BDBM50395894

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 7453,7454,50395889,50395891,50395894   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50395894
PNG
(CHEMBL2163771)
Show SMILES Oc1cnc2oc3c(cc(O)c4ccccc34)c2c1-c1ccccc1
Show InChI InChI=1S/C21H13NO3/c23-16-10-15-19-18(12-6-2-1-3-7-12)17(24)11-22-21(19)25-20(15)14-9-5-4-8-13(14)16/h1-11,23-24H
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10n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395894
PNG
(CHEMBL2163771)
Show SMILES Oc1cnc2oc3c(cc(O)c4ccccc34)c2c1-c1ccccc1
Show InChI InChI=1S/C21H13NO3/c23-16-10-15-19-18(12-6-2-1-3-7-12)17(24)11-22-21(19)25-20(15)14-9-5-4-8-13(14)16/h1-11,23-24H
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70n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50395894
PNG
(CHEMBL2163771)
Show SMILES Oc1cnc2oc3c(cc(O)c4ccccc34)c2c1-c1ccccc1
Show InChI InChI=1S/C21H13NO3/c23-16-10-15-19-18(12-6-2-1-3-7-12)17(24)11-22-21(19)25-20(15)14-9-5-4-8-13(14)16/h1-11,23-24H
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700n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM7453
PNG
(1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...)
Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3
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5.30E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM7453
PNG
(1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...)
Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3
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1.48E+4n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens (Human))
BDBM7453
PNG
(1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...)
Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3
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2.40E+4n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens (Human))
BDBM50395891
PNG
(CHEMBL2163773)
Show SMILES COc1ccc2oc3ncc(OC)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C19H15NO3/c1-21-13-8-9-15-14(10-13)18-17(12-6-4-3-5-7-12)16(22-2)11-20-19(18)23-15/h3-11H,1-2H3
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1.47E+5n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7453
PNG
(1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...)
Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3
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2.17E+5n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50395889
PNG
(CHEMBL2163768)
Show SMILES COc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C18H13NO3/c1-21-12-7-8-15-13(9-12)17-16(11-5-3-2-4-6-11)14(20)10-19-18(17)22-15/h2-10,20H,1H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50395891
PNG
(CHEMBL2163773)
Show SMILES COc1ccc2oc3ncc(OC)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C19H15NO3/c1-21-13-8-9-15-14(10-13)18-17(12-6-4-3-5-7-12)16(22-2)11-20-19(18)23-15/h3-11H,1-2H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395889
PNG
(CHEMBL2163768)
Show SMILES COc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C18H13NO3/c1-21-12-7-8-15-13(9-12)17-16(11-5-3-2-4-6-11)14(20)10-19-18(17)22-15/h2-10,20H,1H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens (Human))
BDBM50395889
PNG
(CHEMBL2163768)
Show SMILES COc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C18H13NO3/c1-21-12-7-8-15-13(9-12)17-16(11-5-3-2-4-6-11)14(20)10-19-18(17)22-15/h2-10,20H,1H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50395889
PNG
(CHEMBL2163768)
Show SMILES COc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C18H13NO3/c1-21-12-7-8-15-13(9-12)17-16(11-5-3-2-4-6-11)14(20)10-19-18(17)22-15/h2-10,20H,1H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50395891
PNG
(CHEMBL2163773)
Show SMILES COc1ccc2oc3ncc(OC)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C19H15NO3/c1-21-13-8-9-15-14(10-13)18-17(12-6-4-3-5-7-12)16(22-2)11-20-19(18)23-15/h3-11H,1-2H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395891
PNG
(CHEMBL2163773)
Show SMILES COc1ccc2oc3ncc(OC)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C19H15NO3/c1-21-13-8-9-15-14(10-13)18-17(12-6-4-3-5-7-12)16(22-2)11-20-19(18)23-15/h3-11H,1-2H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7453
PNG
(1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...)
Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3
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n/an/a 6.43E+4n/an/an/an/a7.230



Martin-Luther-University Halle-Wittenberg



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem Lett 15: 823-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.091
BindingDB Entry DOI: 10.7270/Q2QZ2853
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7454
PNG
(1-aza-9-oxafluorene deriv. 7c | 4-ethoxy-3-phenyl-...)
Show SMILES CCOc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C19H15NO3/c1-2-22-16-11-20-19-18(17(16)12-6-4-3-5-7-12)14-10-13(21)8-9-15(14)23-19/h3-11,21H,2H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.230



Martin-Luther-University Halle-Wittenberg



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem Lett 15: 823-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.091
BindingDB Entry DOI: 10.7270/Q2QZ2853
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7453
PNG
(1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...)
Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3
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n/an/a 6.30E+3n/an/an/an/a7.230



Martin-Luther-University Halle-Wittenberg



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem Lett 15: 823-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.091
BindingDB Entry DOI: 10.7270/Q2QZ2853
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7454
PNG
(1-aza-9-oxafluorene deriv. 7c | 4-ethoxy-3-phenyl-...)
Show SMILES CCOc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C19H15NO3/c1-2-22-16-11-20-19-18(17(16)12-6-4-3-5-7-12)14-10-13(21)8-9-15(14)23-19/h3-11,21H,2H2,1H3
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n/an/a 5.90E+3n/an/an/an/a7.230



Martin-Luther-University Halle-Wittenberg



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem Lett 15: 823-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.091
BindingDB Entry DOI: 10.7270/Q2QZ2853
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7454
PNG
(1-aza-9-oxafluorene deriv. 7c | 4-ethoxy-3-phenyl-...)
Show SMILES CCOc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C19H15NO3/c1-2-22-16-11-20-19-18(17(16)12-6-4-3-5-7-12)14-10-13(21)8-9-15(14)23-19/h3-11,21H,2H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.230



Martin-Luther-University Halle-Wittenberg



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem Lett 15: 823-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.091
BindingDB Entry DOI: 10.7270/Q2QZ2853
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7453
PNG
(1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...)
Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3
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n/an/a 8.00E+4n/an/an/an/a7.230



Martin-Luther-University Halle-Wittenberg



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem Lett 15: 823-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.091
BindingDB Entry DOI: 10.7270/Q2QZ2853
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7454
PNG
(1-aza-9-oxafluorene deriv. 7c | 4-ethoxy-3-phenyl-...)
Show SMILES CCOc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C19H15NO3/c1-2-22-16-11-20-19-18(17(16)12-6-4-3-5-7-12)14-10-13(21)8-9-15(14)23-19/h3-11,21H,2H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.230



Martin-Luther-University Halle-Wittenberg



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem Lett 15: 823-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.091
BindingDB Entry DOI: 10.7270/Q2QZ2853
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7453
PNG
(1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...)
Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.230



Martin-Luther-University Halle-Wittenberg



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem Lett 15: 823-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.091
BindingDB Entry DOI: 10.7270/Q2QZ2853
More data for this
Ligand-Target Pair