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47 similar compounds to monomer 6021

Compile data set for download or QSAR
Wt: 419.6
BDBM5966
Wt: 357.6
BDBM5968
Wt: 373.6
BDBM5972
Wt: 371.6
BDBM5977
Wt: 399.7
BDBM5984
Wt: 417.7
BDBM5986
Wt: 415.7
BDBM5990
Wt: 447.7
BDBM5996
Wt: 433.7
BDBM5998
Wt: 463.7
BDBM6000
Wt: 449.7
BDBM6001
Wt: 463.7
BDBM6002
Wt: 434.7
BDBM6003
Wt: 462.7
BDBM6004
Wt: 447.7
BDBM6005
Displayed 1 to 15 (of 47 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 5966,5968,5972,5977,5984,5986,5990,5996,5998,6000,6001,6002,6003,6004,6005   
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))
BDBM5966
PNG
(3-Benzyl-6-methyl-1-(2,4,6-trichlorophenyl)-4,5-di...)
Show SMILES Cc1nc2n(nc(Cc3ccccc3)c2c(=O)[nH]1)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C19H13Cl3N4O/c1-10-23-18-16(19(27)24-10)15(7-11-5-3-2-4-6-11)25-26(18)17-13(21)8-12(20)9-14(17)22/h2-6,8-9H,7H2,1H3,(H,23,24,27)
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n/an/a>4.80E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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))
BDBM6005
PNG
(3-Ethyl-6-(3-methylbenzyl)-1-(2,4,6-trichloropheny...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(C)c3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O/c1-3-16-18-20(28(27-16)19-14(23)9-13(22)10-15(19)24)25-17(26-21(18)29)8-12-6-4-5-11(2)7-12/h4-7,9-10H,3,8H2,1-2H3,(H,25,26,29)
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n/an/a>560n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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))
BDBM5972
PNG
(3-(2-Hydroxyethyl)-6-methyl-1-(2,4,6-trichlorophen...)
Show SMILES Cc1nc2n(nc(CCO)c2c(=O)[nH]1)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C14H11Cl3N4O2/c1-6-18-13-11(14(23)19-6)10(2-3-22)20-21(13)12-8(16)4-7(15)5-9(12)17/h4-5,22H,2-3H2,1H3,(H,18,19,23)
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n/an/a>1.40E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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))
BDBM5968
PNG
(3-Ethyl-6-methyl-1-(2,4,6-trichlorophenyl)-4,5-dih...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)[nH]c(=O)c12
Show InChI InChI=1S/C14H11Cl3N4O/c1-3-10-11-13(18-6(2)19-14(11)22)21(20-10)12-8(16)4-7(15)5-9(12)17/h4-5H,3H2,1-2H3,(H,18,19,22)
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n/an/a 140n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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))
BDBM5977
PNG
(3, 6-Diethyl-1-(2,4,6-trichlorophenyl)-4,5-dihydro...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CC)[nH]c(=O)c12
Show InChI InChI=1S/C15H13Cl3N4O/c1-3-10-12-14(19-11(4-2)20-15(12)23)22(21-10)13-8(17)5-7(16)6-9(13)18/h5-6H,3-4H2,1-2H3,(H,19,20,23)
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n/an/a 940n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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))
BDBM5984
PNG
(3-Ethyl-6-isobutyl-1-(2,4,6-trichlorophenyl)-4,5-d...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CC(C)C)[nH]c(=O)c12
Show InChI InChI=1S/C17H17Cl3N4O/c1-4-12-14-16(21-13(5-8(2)3)22-17(14)25)24(23-12)15-10(19)6-9(18)7-11(15)20/h6-8H,4-5H2,1-3H3,(H,21,22,25)
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n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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))
BDBM5977
PNG
(3, 6-Diethyl-1-(2,4,6-trichlorophenyl)-4,5-dihydro...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CC)[nH]c(=O)c12
Show InChI InChI=1S/C15H13Cl3N4O/c1-3-10-12-14(19-11(4-2)20-15(12)23)22(21-10)13-8(17)5-7(16)6-9(13)18/h5-6H,3-4H2,1-2H3,(H,19,20,23)
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n/an/a 96n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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))
BDBM5986
PNG
(3-Ethyl-6-(2-methylthioethyl)-1-(2,4,6-trichloroph...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCSC)[nH]c(=O)c12
Show InChI InChI=1S/C16H15Cl3N4OS/c1-3-11-13-15(20-12(4-5-25-2)21-16(13)24)23(22-11)14-9(18)6-8(17)7-10(14)19/h6-7H,3-5H2,1-2H3,(H,20,21,24)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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))
BDBM5990
PNG
(3-Ethyl-6-(4-hydroxybutyl)-1-(2,4,6-trichloropheny...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCCCO)[nH]c(=O)c12
Show InChI InChI=1S/C17H17Cl3N4O2/c1-2-12-14-16(21-13(22-17(14)26)5-3-4-6-25)24(23-12)15-10(19)7-9(18)8-11(15)20/h7-8,25H,2-6H2,1H3,(H,21,22,26)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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))
BDBM5990
PNG
(3-Ethyl-6-(4-hydroxybutyl)-1-(2,4,6-trichloropheny...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCCCO)[nH]c(=O)c12
Show InChI InChI=1S/C17H17Cl3N4O2/c1-2-12-14-16(21-13(22-17(14)26)5-3-4-6-25)24(23-12)15-10(19)7-9(18)8-11(15)20/h7-8,25H,2-6H2,1H3,(H,21,22,26)
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n/an/a 250n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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))
BDBM5996
PNG
(3-Ethyl-6-(2-phenylethyl)-1-(2,4,6-trichlorophenyl...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCc3ccccc3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O/c1-2-16-18-20(28(27-16)19-14(23)10-13(22)11-15(19)24)25-17(26-21(18)29)9-8-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,25,26,29)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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))
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 Co.



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))
BDBM6000
PNG
(3-Ethyl-6-(2-methoxybenzyl)-1-(2,4,6-trichlorophen...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3OC)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O2/c1-3-15-18-20(28(27-15)19-13(23)9-12(22)10-14(19)24)25-17(26-21(18)29)8-11-6-4-5-7-16(11)30-2/h4-7,9-10H,3,8H2,1-2H3,(H,25,26,29)
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n/an/a>2.20E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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 Co.



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))
BDBM6002
PNG
(3-Ethyl-6-(2-(hydroxymethyl)benzyl)-1-(2,4,6-trich...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3CO)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O2/c1-2-16-18-20(28(27-16)19-14(23)8-13(22)9-15(19)24)25-17(26-21(18)30)7-11-5-3-4-6-12(11)10-29/h3-6,8-9,29H,2,7,10H2,1H3,(H,25,26,30)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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))
BDBM6003
PNG
(3-Ethyl-6-(pyrid-2-ylmethyl)-1-(2,4,6-trichlorophe...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccn3)[nH]c(=O)c12
Show InChI InChI=1S/C19H14Cl3N5O/c1-2-14-16-18(27(26-14)17-12(21)7-10(20)8-13(17)22)24-15(25-19(16)28)9-11-5-3-4-6-23-11/h3-8H,2,9H2,1H3,(H,24,25,28)
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n/an/a 9.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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))
BDBM6004
PNG
(6-(3-Amino-2-methylbenzyl)-3-ethyl-1-(2,4,6-trichl...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(N)c3C)[nH]c(=O)c12
Show InChI InChI=1S/C21H18Cl3N5O/c1-3-16-18-20(29(28-16)19-13(23)8-12(22)9-14(19)24)26-17(27-21(18)30)7-11-5-4-6-15(25)10(11)2/h4-6,8-9H,3,7,25H2,1-2H3,(H,26,27,30)
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n/an/a>2.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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))
BDBM5996
PNG
(3-Ethyl-6-(2-phenylethyl)-1-(2,4,6-trichlorophenyl...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCc3ccccc3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O/c1-2-16-18-20(28(27-16)19-14(23)10-13(22)11-15(19)24)25-17(26-21(18)29)9-8-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,25,26,29)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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 Co.



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))
BDBM6000
PNG
(3-Ethyl-6-(2-methoxybenzyl)-1-(2,4,6-trichlorophen...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3OC)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O2/c1-3-15-18-20(28(27-15)19-13(23)9-12(22)10-14(19)24)25-17(26-21(18)29)8-11-6-4-5-7-16(11)30-2/h4-7,9-10H,3,8H2,1-2H3,(H,25,26,29)
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n/an/a 100n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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 Co.



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))
BDBM6002
PNG
(3-Ethyl-6-(2-(hydroxymethyl)benzyl)-1-(2,4,6-trich...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3CO)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O2/c1-2-16-18-20(28(27-16)19-14(23)8-13(22)9-15(19)24)25-17(26-21(18)30)7-11-5-3-4-6-12(11)10-29/h3-6,8-9,29H,2,7,10H2,1H3,(H,25,26,30)
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n/an/a 27n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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))
BDBM6003
PNG
(3-Ethyl-6-(pyrid-2-ylmethyl)-1-(2,4,6-trichlorophe...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccn3)[nH]c(=O)c12
Show InChI InChI=1S/C19H14Cl3N5O/c1-2-14-16-18(27(26-14)17-12(21)7-10(20)8-13(17)22)24-15(25-19(16)28)9-11-5-3-4-6-23-11/h3-8H,2,9H2,1H3,(H,24,25,28)
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n/an/a 230n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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))
BDBM6004
PNG
(6-(3-Amino-2-methylbenzyl)-3-ethyl-1-(2,4,6-trichl...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(N)c3C)[nH]c(=O)c12
Show InChI InChI=1S/C21H18Cl3N5O/c1-3-16-18-20(29(28-16)19-13(23)8-12(22)9-14(19)24)26-17(27-21(18)30)7-11-5-4-6-15(25)10(11)2/h4-6,8-9H,3,7,25H2,1-2H3,(H,26,27,30)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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))
BDBM6005
PNG
(3-Ethyl-6-(3-methylbenzyl)-1-(2,4,6-trichloropheny...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(C)c3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O/c1-3-16-18-20(28(27-16)19-14(23)9-13(22)10-15(19)24)25-17(26-21(18)29)8-12-6-4-5-11(2)7-12/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 Co.



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))
BDBM6005
PNG
(3-Ethyl-6-(3-methylbenzyl)-1-(2,4,6-trichloropheny...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(C)c3)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O/c1-3-16-18-20(28(27-16)19-14(23)9-13(22)10-15(19)24)25-17(26-21(18)29)8-12-6-4-5-11(2)7-12/h4-7,9-10H,3,8H2,1-2H3,(H,25,26,29)
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n/an/a 39n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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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n/an/a 260n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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))
BDBM6002
PNG
(3-Ethyl-6-(2-(hydroxymethyl)benzyl)-1-(2,4,6-trich...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3CO)[nH]c(=O)c12
Show InChI InChI=1S/C21H17Cl3N4O2/c1-2-16-18-20(28(27-16)19-14(23)8-13(22)9-15(19)24)25-17(26-21(18)30)7-11-5-3-4-6-12(11)10-29/h3-6,8-9,29H,2,7,10H2,1H3,(H,25,26,30)
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n/an/a>270n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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))
BDBM6004
PNG
(6-(3-Amino-2-methylbenzyl)-3-ethyl-1-(2,4,6-trichl...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(N)c3C)[nH]c(=O)c12
Show InChI InChI=1S/C21H18Cl3N5O/c1-3-16-18-20(29(28-16)19-13(23)8-12(22)9-14(19)24)26-17(27-21(18)30)7-11-5-4-6-15(25)10(11)2/h4-6,8-9H,3,7,25H2,1-2H3,(H,26,27,30)
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Bristol-Myers Squibb Co.



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))
BDBM5968
PNG
(3-Ethyl-6-methyl-1-(2,4,6-trichlorophenyl)-4,5-dih...)
Show SMILES CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)[nH]c(=O)c12
Show InChI InChI=1S/C14H11Cl3N4O/c1-3-10-11-13(18-6(2)19-14(11)22)21(20-10)12-8(16)4-7(15)5-9(12)17/h4-5H,3H2,1-2H3,(H,18,19,22)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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