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PubMed code 16039528

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155426
PNG
(1,3,5,8-Tetrahydroxy-xanthen-9-one | 1,3,5,8-tetra...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
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PubMed
140n/an/an/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155426
PNG
(1,3,5,8-Tetrahydroxy-xanthen-9-one | 1,3,5,8-tetra...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
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PubMed
200n/a 200n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM59194
PNG
(4-aminothiazole, 2.0)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)N(=O)=O
Show InChI InChI=1S/C16H11ClN4O3S/c17-10-4-6-11(7-5-10)19-16-20-15(18)14(25-16)13(22)9-2-1-3-12(8-9)21(23)24/h1-8H,18H2,(H,19,20)
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PubMed
660n/a 2.00E+3n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM59194
PNG
(4-aminothiazole, 2.0)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)N(=O)=O
Show InChI InChI=1S/C16H11ClN4O3S/c17-10-4-6-11(7-5-10)19-16-20-15(18)14(25-16)13(22)9-2-1-3-12(8-9)21(23)24/h1-8H,18H2,(H,19,20)
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PubMed
690n/an/an/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155420
PNG
(1,5,8-Trihydroxy-3-methoxy-xanthen-9-one | BELLIDI...)
Show SMILES COc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O
Show InChI InChI=1S/C14H10O6/c1-19-6-4-9(17)11-10(5-6)20-14-8(16)3-2-7(15)12(14)13(11)18/h2-5,15-17H,1H3
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PubMed
n/an/a 700n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM59195
PNG
(4-aminothiazole, 2.1)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H10Cl3N3OS/c17-8-1-4-10(5-2-8)21-16-22-15(20)14(24-16)13(23)11-6-3-9(18)7-12(11)19/h1-7H,20H2,(H,21,22)
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PubMed
n/an/a 700n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM59201
PNG
(2,3-dihydro-1H-4-oxa-2,5-diazaphenanthrenes, 3.2)
Show SMILES Clc1cc2CN(Oc2c2ncccc12)C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C28H26ClN3O/c29-26-17-23-19-32(33-28(23)27-25(26)7-4-14-30-27)24-12-15-31(16-13-24)18-20-8-10-22(11-9-20)21-5-2-1-3-6-21/h1-11,14,17,24H,12-13,15-16,18-19H2
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PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM59200
PNG
(2,3-dihydro-1H-4-oxa-2,5-diazaphenanthrenes, 3.1)
Show SMILES CC(=O)Nc1ccc(CN2CCC(CC2)N2Cc3cc(Cl)c4cccnc4c3O2)cc1
Show InChI InChI=1S/C24H25ClN4O2/c1-16(30)27-19-6-4-17(5-7-19)14-28-11-8-20(9-12-28)29-15-18-13-22(25)21-3-2-10-26-23(21)24(18)31-29/h2-7,10,13,20H,8-9,11-12,14-15H2,1H3,(H,27,30)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM59199
PNG
(2,3-dihydro-1H-4-oxa-2,5-diazaphenanthrenes, 3.0)
Show SMILES Clc1cc2CN(COc2c2ncccc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24ClN3O/c24-21-13-18-15-27(16-28-23(18)22-20(21)7-4-10-25-22)19-8-11-26(12-9-19)14-17-5-2-1-3-6-17/h1-7,10,13,19H,8-9,11-12,14-16H2
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PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155436
PNG
(1,3,5-Trihydroxy-xanthen-9-one | CHEMBL365234 | US...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)cccc1c2=O
Show InChI InChI=1S/C13H8O5/c14-6-4-9(16)11-10(5-6)18-13-7(12(11)17)2-1-3-8(13)15/h1-5,14-16H
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PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM59196
PNG
(4-aminothiazole, 2.2)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H11ClF3N3OS/c18-11-4-6-12(7-5-11)23-16-24-15(22)14(26-16)13(25)9-2-1-3-10(8-9)17(19,20)21/h1-8H,22H2,(H,23,24)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM59197
PNG
(4-aminothiazole, 2.3)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11Cl2N3OS/c17-10-3-1-9(2-4-10)13(22)14-15(19)21-16(23-14)20-12-7-5-11(18)6-8-12/h1-8H,19H2,(H,20,21)
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n/an/a 6.60E+4n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM59198
PNG
(4-aminothiazole, 2.4)
Show SMILES Clc1ccc(Nc2ncc(s2)C(=O)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C16H9Cl3N2OS/c17-9-1-4-11(5-2-9)21-16-20-8-14(23-16)15(22)12-6-3-10(18)7-13(12)19/h1-8H,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM59192
PNG
(Xanthen-9-one, 1.3)
Show SMILES COC(=O)c1c(O)ccc2c1oc1cccc(O)c1c2=O
Show InChI InChI=1S/C15H10O6/c1-20-15(19)12-9(17)6-5-7-13(18)11-8(16)3-2-4-10(11)21-14(7)12/h2-6,16-17H,1H3
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n/an/a 2.47E+5n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM59191
PNG
(Xanthen-9-one, 1.2)
Show SMILES Oc1cc(O)c2c(c1)oc1cccc(O)c1c2=O
Show InChI InChI=1S/C13H8O5/c14-6-4-8(16)12-10(5-6)18-9-3-1-2-7(15)11(9)13(12)17/h1-5,14-16H
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n/an/a 5.33E+5n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM59193
PNG
(Xanthen-9-one, 1.5)
Show SMILES COc1cc(OC)c2c(c1)oc1c(O)ccc(O)c1c2=O
Show InChI InChI=1S/C15H12O6/c1-19-7-5-10(20-2)13-11(6-7)21-15-9(17)4-3-8(16)12(15)14(13)18/h3-6,16-17H,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%