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PubMed code 11514172

Compile data set for download or QSAR
Found 20 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 4 (CDK4)


(Homo sapiens (human))
BDBM6961
PNG
(13-(4-hydroxyphenyl)-11-azatetracyclo[8.7.0.0^{2,7...)
Show SMILES Oc1ccc(cc1)-c1cccc2c1[nH]c1ccc3ccc(O)cc3c21
Show InChI InChI=1S/C22H15NO2/c24-15-8-4-13(5-9-15)17-2-1-3-18-21-19-12-16(25)10-6-14(19)7-11-20(21)23-22(17)18/h1-12,23-25H
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n/an/a 1.90E+3n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6960
PNG
(13-(3-aminophenyl)-11-azatetracyclo[8.7.0.0^{2,7}....)
Show SMILES Nc1cccc(c1)-c1cccc2c1[nH]c1ccc3ccc(O)cc3c21
Show InChI InChI=1S/C22H16N2O/c23-15-4-1-3-14(11-15)17-5-2-6-18-21-19-12-16(25)9-7-13(19)8-10-20(21)24-22(17)18/h1-12,24-25H,23H2
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n/an/a 2.30E+3n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6943
PNG
(13-phenyl-11-azatetracyclo[8.7.0.0^{2,7}.0^{12,17}...)
Show SMILES Oc1ccc2ccc3[nH]c4c(cccc4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C22H15NO/c24-16-11-9-15-10-12-20-21(19(15)13-16)18-8-4-7-17(22(18)23-20)14-5-2-1-3-6-14/h1-13,23-24H
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n/an/a 3.60E+3n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6947
PNG
(13-phenyl-11-azatetracyclo[8.7.0.0^{2,7}.0^{12,17}...)
Show SMILES Oc1cccc2c3c(ccc12)[nH]c1c(cccc31)-c1ccccc1
Show InChI InChI=1S/C22H15NO/c24-20-11-5-9-17-16(20)12-13-19-21(17)18-10-4-8-15(22(18)23-19)14-6-2-1-3-7-14/h1-13,23-24H
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n/an/a 5.80E+3n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6962
PNG
(13-(4-chlorophenyl)-11-azatetracyclo[8.7.0.0^{2,7}...)
Show SMILES Oc1ccc2ccc3[nH]c4c(cccc4c3c2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14ClNO/c23-15-8-4-13(5-9-15)17-2-1-3-18-21-19-12-16(25)10-6-14(19)7-11-20(21)24-22(17)18/h1-12,24-25H
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n/an/a 9.90E+3n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6953
PNG
(11-azatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca...)
Show SMILES Oc1ccc2ccc3[nH]c4ccccc4c3c2c1
Show InChI InChI=1S/C16H11NO/c18-11-7-5-10-6-8-15-16(13(10)9-11)12-3-1-2-4-14(12)17-15/h1-9,17-18H
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n/an/a 1.74E+4n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6945
PNG
(13-phenyl-11-azatetracyclo[8.7.0.0^{2,7}.0^{12,17}...)
Show SMILES Oc1cccc2ccc3[nH]c4c(cccc4c3c12)-c1ccccc1
Show InChI InChI=1S/C22H15NO/c24-19-11-4-8-15-12-13-18-21(20(15)19)17-10-5-9-16(22(17)23-18)14-6-2-1-3-7-14/h1-13,23-24H
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n/an/a 1.95E+4n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6950
PNG
(14-phenyl-11-azatetracyclo[8.7.0.0^{2,7}.0^{12,17}...)
Show SMILES Oc1ccc2ccc3[nH]c4cc(ccc4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C22H15NO/c24-17-9-6-15-8-11-20-22(19(15)13-17)18-10-7-16(12-21(18)23-20)14-4-2-1-3-5-14/h1-13,23-24H
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n/an/a 2.20E+4n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6948
PNG
(13-phenyl-11-azatetracyclo[8.7.0.0^{2,7}.0^{12,17}...)
Show SMILES Nc1ccc2ccc3[nH]c4c(cccc4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C22H16N2/c23-16-11-9-15-10-12-20-21(19(15)13-16)18-8-4-7-17(22(18)24-20)14-5-2-1-3-6-14/h1-13,24H,23H2
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n/an/a 2.73E+4n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6946
PNG
(13-phenyl-11-azatetracyclo[8.7.0.0^{2,7}.0^{12,17}...)
Show SMILES Oc1ccc2c3c(ccc2c1)[nH]c1c(cccc31)-c1ccccc1
Show InChI InChI=1S/C22H15NO/c24-16-10-11-17-15(13-16)9-12-20-21(17)19-8-4-7-18(22(19)23-20)14-5-2-1-3-6-14/h1-13,23-24H
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n/an/a 2.90E+4n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6956
PNG
(5,11-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]hepta...)
Show SMILES c1ccc2c(c1)[nH]c1ccc3cnccc3c21
Show InChI InChI=1S/C15H10N2/c1-2-4-13-12(3-1)15-11-7-8-16-9-10(11)5-6-14(15)17-13/h1-9,17H
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n/an/a 3.00E+4n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6951
PNG
(15-phenyl-11-azatetracyclo[8.7.0.0^{2,7}.0^{12,17}...)
Show SMILES Oc1ccc2ccc3[nH]c4ccc(cc4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C22H15NO/c24-17-9-6-15-7-11-21-22(18(15)13-17)19-12-16(8-10-20(19)23-21)14-4-2-1-3-5-14/h1-13,23-24H
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n/an/a 3.75E+4n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6959
PNG
(5-oxido-5,11-diazatetracyclo[8.7.0.0^{2,7}.0^{12,1...)
Show SMILES [O-][n+]1ccc2c3c(ccc2c1)[nH]c1ccccc31
Show InChI InChI=1S/C15H10N2O/c18-17-8-7-11-10(9-17)5-6-14-15(11)12-3-1-2-4-13(12)16-14/h1-9,16H
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n/an/a 5.90E+4n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6952
PNG
(16-phenyl-11-azatetracyclo[8.7.0.0^{2,7}.0^{12,17}...)
Show SMILES Oc1ccc2ccc3[nH]c4cccc(-c5ccccc5)c4c3c2c1
Show InChI InChI=1S/C22H15NO/c24-16-11-9-15-10-12-20-22(18(15)13-16)21-17(7-4-8-19(21)23-20)14-5-2-1-3-6-14/h1-13,23-24H
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n/an/a 8.30E+4n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6955
PNG
(4,11-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]hepta...)
Show SMILES c1ccc2c(c1)[nH]c1ccc3ccncc3c21
Show InChI InChI=1S/C15H10N2/c1-2-4-13-11(3-1)15-12-9-16-8-7-10(12)5-6-14(15)17-13/h1-9,17H
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n/an/a 1.59E+5n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6957
PNG
(6,11-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]hepta...)
Show SMILES c1ccc2c(c1)[nH]c1ccc3ncccc3c21
Show InChI InChI=1S/C15H10N2/c1-2-6-13-11(4-1)15-10-5-3-9-16-12(10)7-8-14(15)17-13/h1-9,17H
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n/an/a 1.97E+5n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6944
PNG
(4-methoxy-13-phenyl-11-azatetracyclo[8.7.0.0^{2,7}...)
Show SMILES COc1ccc2ccc3[nH]c4c(cccc4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C23H17NO/c1-25-17-12-10-16-11-13-21-22(20(16)14-17)19-9-5-8-18(23(19)24-21)15-6-3-2-4-7-15/h2-14,24H,1H3
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n/an/a>3.09E+5n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6949
PNG
(13-phenyl-11-azatetracyclo[8.7.0.0^{2,7}.0^{12,17}...)
Show SMILES c1ccc(cc1)-c1cccc2c1[nH]c1ccc3ccccc3c21
Show InChI InChI=1S/C22H15N/c1-2-7-15(8-3-1)18-11-6-12-19-21-17-10-5-4-9-16(17)13-14-20(21)23-22(18)19/h1-14,23H
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n/an/a>3.41E+5n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6954
PNG
(3,11-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]hepta...)
Show SMILES c1ccc2c(c1)[nH]c1ccc3cccnc3c21
Show InChI InChI=1S/C15H10N2/c1-2-6-12-11(5-1)14-13(17-12)8-7-10-4-3-9-16-15(10)14/h1-9,17H
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n/an/a 4.42E+5n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6958
PNG
(4-oxido-4,11-diazatetracyclo[8.7.0.0^{2,7}.0^{12,1...)
Show SMILES [O-][n+]1ccc2ccc3[nH]c4ccccc4c3c2c1
Show InChI InChI=1S/C15H10N2O/c18-17-8-7-10-5-6-14-15(12(10)9-17)11-3-1-2-4-13(11)16-14/h1-9,16H
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MMDB

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Article
PubMed
n/an/a 6.05E+5n/an/an/an/a7.622



DuPont Pharmaceuticals Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 11: 2209-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00416-4
BindingDB Entry DOI: 10.7270/Q2P55KPF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%