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Compile Data Set for Download or QSAR

Found 8 hits of Enz. Inhib. data with enzyme = 'Cyclin-Dependent Kinase 4 (CDK4)' and Substrate = 'Histone H1'   
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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM12097
PNG
(3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...)
Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3)c2C1
Show InChI InChI=1S/C22H30N6O2/c1-2-3-10-23-22(30)28-14-18-19(15-28)25-26-21(18)24-20(29)13-16-6-8-17(9-7-16)27-11-4-5-12-27/h6-9H,2-5,10-15H2,1H3,(H,23,30)(H2,24,25,26,29)
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n/an/a>1.00E+4n/an/an/an/a7.422



Nerviano Medical Sciences



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


Bioorg Med Chem Lett 16: 1084-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.071
BindingDB Entry DOI: 10.7270/Q2PZ5725
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM12100
PNG
(3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...)
Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1
Show InChI InChI=1S/C23H27N5O2/c1-3-4-11-24-23(30)28-13-19-20(14-28)26-27-21(19)25-22(29)15(2)17-10-9-16-7-5-6-8-18(16)12-17/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,24,30)(H2,25,26,27,29)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/a7.422



Nerviano Medical Sciences



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


Bioorg Med Chem Lett 16: 1084-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.071
BindingDB Entry DOI: 10.7270/Q2PZ5725
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM7456
PNG
(1-aza-9-oxafluorene deriv. 7e | 4-bromo-3-phenyl-8...)
Show SMILES Oc1ccc2oc3ncc(Br)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H10BrNO2/c18-13-9-19-17-16(15(13)10-4-2-1-3-5-10)12-8-11(20)6-7-14(12)21-17/h1-9,20H
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n/an/a 2.87E+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 4 (CDK4)


(Homo sapiens (human))
BDBM7455
PNG
(1-aza-9-oxafluorene deriv. 7d | 4-chloro-3-phenyl-...)
Show SMILES Oc1ccc2oc3ncc(Cl)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H10ClNO2/c18-13-9-19-17-16(15(13)10-4-2-1-3-5-10)12-8-11(20)6-7-14(12)21-17/h1-9,20H
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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 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
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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 4 (CDK4)


(Homo sapiens (human))
BDBM7452
PNG
(1-aza-9-oxafluorene deriv. 7a | 4-methyl-3-phenyl-...)
Show SMILES Cc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C18H13NO2/c1-11-10-19-18-17(16(11)12-5-3-2-4-6-12)14-9-13(20)7-8-15(14)21-18/h2-10,20H,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 4 (CDK4)


(Homo sapiens (human))
BDBM7451
PNG
(1-{12-hydroxy-3-phenyl-8-oxa-6-azatricyclo[7.4.0.0...)
Show SMILES CC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C19H13NO3/c1-11(21)15-10-20-19-18(17(15)12-5-3-2-4-6-12)14-9-13(22)7-8-16(14)23-19/h2-10,22H,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 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