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15 molecules are shown

Wt: 433.7
BDBM5998
Wt: 449.7
BDBM6001
Wt: 463.7
BDBM6007
Wt: 448.7
BDBM6011
Wt: 463.7
BDBM6012
Wt: 449.7
BDBM6013
Wt: 477.7
BDBM6017
Wt: 463.7
BDBM6018
Wt: 479.7
BDBM6019
Wt: 493.7
BDBM6020
Wt: 465.7
BDBM6021
Wt: 465.7
BDBM6022
Wt: 479.7
BDBM6023
Wt: 463.7
BDBM6024
Wt: 449.7
BDBM6025

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 5998,6001,6007,6011,6012,6013,6017,6018,6019,6020,6021,6022,6023,6024,6025   
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))
BDBM5998
PNG
(6-Benzyl-3-ethyl-1-(2,4,6-trichlorophenyl)-4,5-dih...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3)[nH]c(=O)c12
Show InChI InChI=1S/C20H15Cl3N4O/c1-2-15-17-19(27(26-15)18-13(22)9-12(21)10-14(18)23)24-16(25-20(17)28)8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,24,25,28)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6025
PNG
(3-Ethyl-6-(3-hydroxybenzyl)-1-(2,4,6-trichlorophen...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(O)c3)[nH]c(=O)c12
Show InChI InChI=1S/C20H15Cl3N4O2/c1-2-15-17-19(27(26-15)18-13(22)8-11(21)9-14(18)23)24-16(25-20(17)29)7-10-4-3-5-12(28)6-10/h3-6,8-9,28H,2,7H2,1H3,(H,24,25,29)
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n/an/a 190n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM5998
PNG
(6-Benzyl-3-ethyl-1-(2,4,6-trichlorophenyl)-4,5-dih...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3)[nH]c(=O)c12
Show InChI InChI=1S/C20H15Cl3N4O/c1-2-15-17-19(27(26-15)18-13(22)9-12(21)10-14(18)23)24-16(25-20(17)28)8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,24,25,28)
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6001
PNG
(3-Ethyl-6-(2-hydroxybenzyl)-1-(2,4,6-trichlorophen...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3O)[nH]c(=O)c12
Show InChI InChI=1S/C20H15Cl3N4O2/c1-2-14-17-19(27(26-14)18-12(22)8-11(21)9-13(18)23)24-16(25-20(17)29)7-10-5-3-4-6-15(10)28/h3-6,8-9,28H,2,7H2,1H3,(H,24,25,29)
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n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6007
PNG
(3-Ethyl-6-(3-methoxybenzyl)-1-(2,4,6-trichlorophen...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(OC)c3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O2/c1-3-16-18-20(28(27-16)19-14(23)9-12(22)10-15(19)24)25-17(26-21(18)29)8-11-5-4-6-13(7-11)30-2/h4-7,9-10H,3,8H2,1-2H3,(H,25,26,29)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6011
PNG
(6-(4-Aminobenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(N)cc3)[nH]c(=O)c12
Show InChI InChI=1S/C20H16Cl3N5O/c1-2-15-17-19(28(27-15)18-13(22)8-11(21)9-14(18)23)25-16(26-20(17)29)7-10-3-5-12(24)6-4-10/h3-6,8-9H,2,7,24H2,1H3,(H,25,26,29)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6012
PNG
(3-Ethyl-6-(4-methoxybenzyl)-1-(2,4,6-trichlorophen...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)cc3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O2/c1-3-16-18-20(28(27-16)19-14(23)9-12(22)10-15(19)24)25-17(26-21(18)29)8-11-4-6-13(30-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3,(H,25,26,29)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6013
PNG
(3-Ethyl-6-(4-hydroxybenzyl)-1-(2,4,6-trichlorophen...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)cc3)[nH]c(=O)c12
Show InChI InChI=1S/C20H15Cl3N4O2/c1-2-15-17-19(27(26-15)18-13(22)8-11(21)9-14(18)23)24-16(25-20(17)29)7-10-3-5-12(28)6-4-10/h3-6,8-9,28H,2,7H2,1H3,(H,24,25,29)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6007
PNG
(3-Ethyl-6-(3-methoxybenzyl)-1-(2,4,6-trichlorophen...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(OC)c3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O2/c1-3-16-18-20(28(27-16)19-14(23)9-12(22)10-15(19)24)25-17(26-21(18)29)8-11-5-4-6-13(7-11)30-2/h4-7,9-10H,3,8H2,1-2H3,(H,25,26,29)
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n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6011
PNG
(6-(4-Aminobenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(N)cc3)[nH]c(=O)c12
Show InChI InChI=1S/C20H16Cl3N5O/c1-2-15-17-19(28(27-15)18-13(22)8-11(21)9-14(18)23)25-16(26-20(17)29)7-10-3-5-12(24)6-4-10/h3-6,8-9H,2,7,24H2,1H3,(H,25,26,29)
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6012
PNG
(3-Ethyl-6-(4-methoxybenzyl)-1-(2,4,6-trichlorophen...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)cc3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O2/c1-3-16-18-20(28(27-16)19-14(23)9-12(22)10-15(19)24)25-17(26-21(18)29)8-11-4-6-13(30-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3,(H,25,26,29)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6013
PNG
(3-Ethyl-6-(4-hydroxybenzyl)-1-(2,4,6-trichlorophen...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)cc3)[nH]c(=O)c12
Show InChI InChI=1S/C20H15Cl3N4O2/c1-2-15-17-19(27(26-15)18-13(22)8-11(21)9-14(18)23)24-16(25-20(17)29)7-10-3-5-12(28)6-4-10/h3-6,8-9,28H,2,7H2,1H3,(H,24,25,29)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6017
PNG
(3-Ethyl-6-(3-methoxy-4-methylbenzyl)-1-(2,4,6-tric...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(C)c(OC)c3)[nH]c(=O)c12
Show InChI InChI=1S/C22H19Cl3N4O2/c1-4-16-19-21(29(28-16)20-14(24)9-13(23)10-15(20)25)26-18(27-22(19)30)8-12-6-5-11(2)17(7-12)31-3/h5-7,9-10H,4,8H2,1-3H3,(H,26,27,30)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6018
PNG
(3-Ethyl-6-(4-hydroxy-3-methylbenzyl)-1-(2,4,6-tric...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(C)c3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O2/c1-3-15-18-20(28(27-15)19-13(23)8-12(22)9-14(19)24)25-17(26-21(18)30)7-11-4-5-16(29)10(2)6-11/h4-6,8-9,29H,3,7H2,1-2H3,(H,25,26,30)
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n/an/a>2.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6019
PNG
(3-Ethyl-6-(4-hydroxy-3-methoxybenzyl)-1-(2,4,6-tri...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(OC)c3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O3/c1-3-14-18-20(28(27-14)19-12(23)8-11(22)9-13(19)24)25-17(26-21(18)30)7-10-4-5-15(29)16(6-10)31-2/h4-6,8-9,29H,3,7H2,1-2H3,(H,25,26,30)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6020
PNG
(6-(3,4-Dimethoxybenzyl)-3-ethyl-1-(2,4,6-trichloro...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)c(OC)c3)[nH]c(=O)c12
Show InChI InChI=1S/C22H19Cl3N4O3/c1-4-15-19-21(29(28-15)20-13(24)9-12(23)10-14(20)25)26-18(27-22(19)30)8-11-5-6-16(31-2)17(7-11)32-3/h5-7,9-10H,4,8H2,1-3H3,(H,26,27,30)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6021
PNG
(6-(3,4-Dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichloro...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(O)c3)[nH]c(=O)c12
Show InChI InChI=1S/C20H15Cl3N4O3/c1-2-13-17-19(27(26-13)18-11(22)7-10(21)8-12(18)23)24-16(25-20(17)30)6-9-3-4-14(28)15(29)5-9/h3-5,7-8,28-29H,2,6H2,1H3,(H,24,25,30)
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n/an/a 44n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6022
PNG
(6-(3,5-Dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichloro...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cc(O)cc(O)c3)[nH]c(=O)c12
Show InChI InChI=1S/C20H15Cl3N4O3/c1-2-15-17-19(27(26-15)18-13(22)6-10(21)7-14(18)23)24-16(25-20(17)30)5-9-3-11(28)8-12(29)4-9/h3-4,6-8,28-29H,2,5H2,1H3,(H,24,25,30)
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n/an/a 59n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6023
PNG
(3-Ethyl-6-(3-hydroxy-4-methoxybenzyl)-1-(2,4,6-tri...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)c(O)c3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O3/c1-3-14-18-20(28(27-14)19-12(23)8-11(22)9-13(19)24)25-17(26-21(18)30)7-10-4-5-16(31-2)15(29)6-10/h4-6,8-9,29H,3,7H2,1-2H3,(H,25,26,30)
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Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6017
PNG
(3-Ethyl-6-(3-methoxy-4-methylbenzyl)-1-(2,4,6-tric...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(C)c(OC)c3)[nH]c(=O)c12
Show InChI InChI=1S/C22H19Cl3N4O2/c1-4-16-19-21(29(28-16)20-14(24)9-13(23)10-15(20)25)26-18(27-22(19)30)8-12-6-5-11(2)17(7-12)31-3/h5-7,9-10H,4,8H2,1-3H3,(H,26,27,30)
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Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6018
PNG
(3-Ethyl-6-(4-hydroxy-3-methylbenzyl)-1-(2,4,6-tric...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(C)c3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O2/c1-3-15-18-20(28(27-15)19-13(23)8-12(22)9-14(19)24)25-17(26-21(18)30)7-11-4-5-16(29)10(2)6-11/h4-6,8-9,29H,3,7H2,1-2H3,(H,25,26,30)
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Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6019
PNG
(3-Ethyl-6-(4-hydroxy-3-methoxybenzyl)-1-(2,4,6-tri...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(OC)c3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O3/c1-3-14-18-20(28(27-14)19-12(23)8-11(22)9-13(19)24)25-17(26-21(18)30)7-10-4-5-15(29)16(6-10)31-2/h4-6,8-9,29H,3,7H2,1-2H3,(H,25,26,30)
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Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6020
PNG
(6-(3,4-Dimethoxybenzyl)-3-ethyl-1-(2,4,6-trichloro...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)c(OC)c3)[nH]c(=O)c12
Show InChI InChI=1S/C22H19Cl3N4O3/c1-4-15-19-21(29(28-15)20-13(24)9-12(23)10-14(20)25)26-18(27-22(19)30)8-11-5-6-16(31-2)17(7-11)32-3/h5-7,9-10H,4,8H2,1-3H3,(H,26,27,30)
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Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6021
PNG
(6-(3,4-Dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichloro...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(O)c3)[nH]c(=O)c12
Show InChI InChI=1S/C20H15Cl3N4O3/c1-2-13-17-19(27(26-13)18-11(22)7-10(21)8-12(18)23)24-16(25-20(17)30)6-9-3-4-14(28)15(29)5-9/h3-5,7-8,28-29H,2,6H2,1H3,(H,24,25,30)
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM6022
PNG
(6-(3,5-Dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichloro...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cc(O)cc(O)c3)[nH]c(=O)c12
Show InChI InChI=1S/C20H15Cl3N4O3/c1-2-15-17-19(27(26-15)18-13(22)6-10(21)7-14(18)23)24-16(25-20(17)30)5-9-3-11(28)8-12(29)4-9/h3-4,6-8,28-29H,2,5H2,1H3,(H,24,25,30)
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Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6023
PNG
(3-Ethyl-6-(3-hydroxy-4-methoxybenzyl)-1-(2,4,6-tri...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)c(O)c3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O3/c1-3-14-18-20(28(27-14)19-12(23)8-11(22)9-13(19)24)25-17(26-21(18)30)7-10-4-5-16(31-2)15(29)6-10/h4-6,8-9,29H,3,7H2,1-2H3,(H,25,26,30)
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Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6024
PNG
(3-Ethyl-6-(3-hydroxy-4-methylbenzyl)-1-(2,4,6-tric...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(C)c(O)c3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O2/c1-3-15-18-20(28(27-15)19-13(23)8-12(22)9-14(19)24)25-17(26-21(18)30)7-11-5-4-10(2)16(29)6-11/h4-6,8-9,29H,3,7H2,1-2H3,(H,25,26,30)
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Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6025
PNG
(3-Ethyl-6-(3-hydroxybenzyl)-1-(2,4,6-trichlorophen...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(O)c3)[nH]c(=O)c12
Show InChI InChI=1S/C20H15Cl3N4O2/c1-2-15-17-19(27(26-15)18-13(22)8-11(21)9-14(18)23)24-16(25-20(17)29)7-10-4-3-5-12(28)6-10/h3-6,8-9,28H,2,7H2,1H3,(H,24,25,29)
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Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6024
PNG
(3-Ethyl-6-(3-hydroxy-4-methylbenzyl)-1-(2,4,6-tric...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(C)c(O)c3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O2/c1-3-15-18-20(28(27-15)19-13(23)8-12(22)9-14(19)24)25-17(26-21(18)30)7-11-5-4-10(2)16(29)6-11/h4-6,8-9,29H,3,7H2,1-2H3,(H,25,26,30)
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Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6025
PNG
(3-Ethyl-6-(3-hydroxybenzyl)-1-(2,4,6-trichlorophen...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(O)c3)[nH]c(=O)c12
Show InChI InChI=1S/C20H15Cl3N4O2/c1-2-15-17-19(27(26-15)18-13(22)8-11(21)9-14(18)23)24-16(25-20(17)29)7-10-4-3-5-12(28)6-10/h3-6,8-9,28H,2,7H2,1H3,(H,24,25,29)
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Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM5998
PNG
(6-Benzyl-3-ethyl-1-(2,4,6-trichlorophenyl)-4,5-dih...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3)[nH]c(=O)c12
Show InChI InChI=1S/C20H15Cl3N4O/c1-2-15-17-19(27(26-15)18-13(22)9-12(21)10-14(18)23)24-16(25-20(17)28)8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,24,25,28)
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Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6007
PNG
(3-Ethyl-6-(3-methoxybenzyl)-1-(2,4,6-trichlorophen...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(OC)c3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O2/c1-3-16-18-20(28(27-16)19-14(23)9-12(22)10-15(19)24)25-17(26-21(18)29)8-11-5-4-6-13(7-11)30-2/h4-7,9-10H,3,8H2,1-2H3,(H,25,26,29)
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Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6011
PNG
(6-(4-Aminobenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(N)cc3)[nH]c(=O)c12
Show InChI InChI=1S/C20H16Cl3N5O/c1-2-15-17-19(28(27-15)18-13(22)8-11(21)9-14(18)23)25-16(26-20(17)29)7-10-3-5-12(24)6-4-10/h3-6,8-9H,2,7,24H2,1H3,(H,25,26,29)
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Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6012
PNG
(3-Ethyl-6-(4-methoxybenzyl)-1-(2,4,6-trichlorophen...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)cc3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O2/c1-3-16-18-20(28(27-16)19-14(23)9-12(22)10-15(19)24)25-17(26-21(18)29)8-11-4-6-13(30-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3,(H,25,26,29)
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Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6013
PNG
(3-Ethyl-6-(4-hydroxybenzyl)-1-(2,4,6-trichlorophen...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)cc3)[nH]c(=O)c12
Show InChI InChI=1S/C20H15Cl3N4O2/c1-2-15-17-19(27(26-15)18-13(22)8-11(21)9-14(18)23)24-16(25-20(17)29)7-10-3-5-12(28)6-4-10/h3-6,8-9,28H,2,7H2,1H3,(H,24,25,29)
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Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6018
PNG
(3-Ethyl-6-(4-hydroxy-3-methylbenzyl)-1-(2,4,6-tric...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(C)c3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O2/c1-3-15-18-20(28(27-15)19-13(23)8-12(22)9-14(19)24)25-17(26-21(18)30)7-11-4-5-16(29)10(2)6-11/h4-6,8-9,29H,3,7H2,1-2H3,(H,25,26,30)
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n/an/a>270n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6019
PNG
(3-Ethyl-6-(4-hydroxy-3-methoxybenzyl)-1-(2,4,6-tri...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(OC)c3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O3/c1-3-14-18-20(28(27-14)19-12(23)8-11(22)9-13(19)24)25-17(26-21(18)30)7-10-4-5-15(29)16(6-10)31-2/h4-6,8-9,29H,3,7H2,1-2H3,(H,25,26,30)
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n/an/a 860n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6020
PNG
(6-(3,4-Dimethoxybenzyl)-3-ethyl-1-(2,4,6-trichloro...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)c(OC)c3)[nH]c(=O)c12
Show InChI InChI=1S/C22H19Cl3N4O3/c1-4-15-19-21(29(28-15)20-13(24)9-12(23)10-14(20)25)26-18(27-22(19)30)8-11-5-6-16(31-2)17(7-11)32-3/h5-7,9-10H,4,8H2,1-3H3,(H,26,27,30)
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n/an/a>510n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6021
PNG
(6-(3,4-Dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichloro...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(O)c3)[nH]c(=O)c12
Show InChI InChI=1S/C20H15Cl3N4O3/c1-2-13-17-19(27(26-13)18-11(22)7-10(21)8-12(18)23)24-16(25-20(17)30)6-9-3-4-14(28)15(29)5-9/h3-5,7-8,28-29H,2,6H2,1H3,(H,24,25,30)
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n/an/a 240n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6023
PNG
(3-Ethyl-6-(3-hydroxy-4-methoxybenzyl)-1-(2,4,6-tri...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)c(O)c3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O3/c1-3-14-18-20(28(27-14)19-12(23)8-11(22)9-13(19)24)25-17(26-21(18)30)7-10-4-5-16(31-2)15(29)6-10/h4-6,8-9,29H,3,7H2,1-2H3,(H,25,26,30)
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6024
PNG
(3-Ethyl-6-(3-hydroxy-4-methylbenzyl)-1-(2,4,6-tric...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(C)c(O)c3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O2/c1-3-15-18-20(28(27-15)19-13(23)8-12(22)9-14(19)24)25-17(26-21(18)30)7-11-5-4-10(2)16(29)6-11/h4-6,8-9,29H,3,7H2,1-2H3,(H,25,26,30)
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n/an/a 520n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6001
PNG
(3-Ethyl-6-(2-hydroxybenzyl)-1-(2,4,6-trichlorophen...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3O)[nH]c(=O)c12
Show InChI InChI=1S/C20H15Cl3N4O2/c1-2-14-17-19(27(26-14)18-12(22)8-11(21)9-13(18)23)24-16(25-20(17)29)7-10-5-3-4-6-15(10)28/h3-6,8-9,28H,2,7H2,1H3,(H,24,25,29)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 47: 5894-911 (2004)


Article DOI: 10.1021/jm020455u
BindingDB Entry DOI: 10.7270/Q22J692N
More data for this
Ligand-Target Pair