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Compile Data Set for Download or QSAR

Found 176 hits with Last Name = 'kellar' and Initial = 'ka'   
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 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5666
PNG
(2-amino-5-thio-substituted thiazole 40 | 3-(5-{[(5...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1
Show InChI InChI=1S/C18H18F2N4O2S2/c1-18(2,3)12-7-21-13(26-12)9-27-14-8-22-17(28-14)24-16(25)23-15-10(19)5-4-6-11(15)20/h4-8H,9H2,1-3H3,(H2,22,23,24,25)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
 The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5668
PNG
(2-amino-5-thio-substituted thiazole 45 | BMS-38703...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC(CO)CO)cc3)s2)o1
Show InChI InChI=1S/C23H30N4O4S2/c1-23(2,3)18-10-25-20(31-18)14-32-21-11-26-22(33-21)27-19(30)8-15-4-6-16(7-5-15)9-24-17(12-28)13-29/h4-7,10-11,17,24,28-29H,8-9,12-14H2,1-3H3,(H,26,27,30)
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Bristol-Myers Squibb Company



Assay Description
 The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5924
PNG
(BMS-387032 analog 14 | N-(5-{[(5-tert-butyl-1,3-ox...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccccc3)s2)o1
Show InChI InChI=1S/C19H21N3O2S2/c1-19(2,3)14-10-20-16(24-14)12-25-17-11-21-18(26-17)22-15(23)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,21,22,23)
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Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5708
PNG
(2-amino-5-thio-substituted thiazole 76 | N-(5-{[(2...)
Show SMILES CC(C)(C)c1ncc(CSc2cnc(NC(=O)Cc3ccccc3)s2)o1
Show InChI InChI=1S/C19H21N3O2S2/c1-19(2,3)17-20-10-14(24-17)12-25-16-11-21-18(26-16)22-15(23)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,21,22,23)
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Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
 The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5667
PNG
(2-amino-5-thio-substituted thiazole 41 | 3-(5-{[(5...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(Cl)cccc3Cl)s2)o1
Show InChI InChI=1S/C18H18Cl2N4O2S2/c1-18(2,3)12-7-21-13(26-12)9-27-14-8-22-17(28-14)24-16(25)23-15-10(19)5-4-6-11(15)20/h4-8H,9H2,1-3H3,(H2,22,23,24,25)
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Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5668
PNG
(2-amino-5-thio-substituted thiazole 45 | BMS-38703...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC(CO)CO)cc3)s2)o1
Show InChI InChI=1S/C23H30N4O4S2/c1-23(2,3)18-10-25-20(31-18)14-32-21-11-26-22(33-21)27-19(30)8-15-4-6-16(7-5-15)9-24-17(12-28)13-29/h4-7,10-11,17,24,28-29H,8-9,12-14H2,1-3H3,(H,26,27,30)
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Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5661
PNG
(2-amino-5-thio-substituted thiazole 26 | N-[5-({[5...)
Show SMILES CC(=O)Nc1ncc(SCc2ncc(CC3CCCCC3)o2)s1
Show InChI InChI=1S/C16H21N3O2S2/c1-11(20)19-16-18-9-15(23-16)22-10-14-17-8-13(21-14)7-12-5-3-2-4-6-12/h8-9,12H,2-7,10H2,1H3,(H,18,19,20)
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Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5660
PNG
(2-amino-5-thio-substituted thiazole 25 | 2-aminoth...)
Show SMILES CC(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Show InChI InChI=1S/C13H17N3O2S2/c1-8(17)16-12-15-6-11(20-12)19-7-10-14-5-9(18-10)13(2,3)4/h5-6H,7H2,1-4H3,(H,15,16,17)
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Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5670
PNG
(2-amino-5-thio-substituted thiazole 47 | N-(5-{[(5...)
Show SMILES CCc1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1
Show InChI InChI=1S/C16H16N4O2S2/c1-2-12-8-18-14(22-12)10-23-15-9-19-16(24-15)20-13(21)6-11-4-3-5-17-7-11/h3-5,7-9H,2,6,10H2,1H3,(H,19,20,21)
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Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5669
PNG
(2-amino-5-thio-substituted thiazole 46 | N-(5-{[(5...)
Show SMILES CCc1cnc(CSc2cnc(NC(=O)C(C)C)s2)o1
Show InChI InChI=1S/C13H17N3O2S2/c1-4-9-5-14-10(18-9)7-19-11-6-15-13(20-11)16-12(17)8(2)3/h5-6,8H,4,7H2,1-3H3,(H,15,16,17)
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Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5662
PNG
(2-amino-5-thio-substituted thiazole 29 | N-(5-{[(5...)
Show SMILES CC(C)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Show InChI InChI=1S/C15H21N3O2S2/c1-9(2)13(19)18-14-17-7-12(22-14)21-8-11-16-6-10(20-11)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19)
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Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5660
PNG
(2-amino-5-thio-substituted thiazole 25 | 2-aminoth...)
Show SMILES CC(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Show InChI InChI=1S/C13H17N3O2S2/c1-8(17)16-12-15-6-11(20-12)19-7-10-14-5-9(18-10)13(2,3)4/h5-6H,7H2,1-4H3,(H,15,16,17)
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Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5684
PNG
((2R)-N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]s...)
Show SMILES C[C@@H](C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O2S2/c1-13(14-8-6-5-7-9-14)18(24)23-19-22-11-17(27-19)26-12-16-21-10-15(25-16)20(2,3)4/h5-11,13H,12H2,1-4H3,(H,22,23,24)/t13-/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
 The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM5776
PNG
(4-butoxy-5-[(2,6-difluoro-4-methylphenyl)carbonyl]...)
Show SMILES CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(C)cc1F
Show InChI InChI=1S/C18H17F2N3O2/c1-3-4-5-25-17-11(8-21-18-12(17)9-22-23-18)16(24)15-13(19)6-10(2)7-14(15)20/h6-9H,3-5H2,1-2H3,(H,21,22,23)
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Bristol-Myers Squibb Company



Assay Description
 The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

Bioorg Med Chem Lett 13: 2405-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00381-0
BindingDB Entry DOI: 10.7270/Q2ZS2TPW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5659
PNG
(2-amino-5-thio-substituted thiazole 24 | N-[5-({[5...)
Show SMILES CC(C)c1cnc(CSc2cnc(NC(C)=O)s2)o1
Show InChI InChI=1S/C12H15N3O2S2/c1-7(2)9-4-13-10(17-9)6-18-11-5-14-12(19-11)15-8(3)16/h4-5,7H,6H2,1-3H3,(H,14,15,16)
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Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM5779
PNG
(4-butoxy-5-[(2,6-difluoro-4-methoxyphenyl)carbonyl...)
Show SMILES CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(OC)cc1F
Show InChI InChI=1S/C18H17F2N3O3/c1-3-4-5-26-17-11(8-21-18-12(17)9-22-23-18)16(24)15-13(19)6-10(25-2)7-14(15)20/h6-9H,3-5H2,1-2H3,(H,21,22,23)
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Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

Bioorg Med Chem Lett 13: 2405-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00381-0
BindingDB Entry DOI: 10.7270/Q2ZS2TPW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5776
PNG
(4-butoxy-5-[(2,6-difluoro-4-methylphenyl)carbonyl]...)
Show SMILES CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(C)cc1F
Show InChI InChI=1S/C18H17F2N3O2/c1-3-4-5-25-17-11(8-21-18-12(17)9-22-23-18)16(24)15-13(19)6-10(2)7-14(15)20/h6-9H,3-5H2,1-2H3,(H,21,22,23)
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Bristol-Myers Squibb Company



Assay Description
 The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

Bioorg Med Chem Lett 13: 2405-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00381-0
BindingDB Entry DOI: 10.7270/Q2ZS2TPW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM5666
PNG
(2-amino-5-thio-substituted thiazole 40 | 3-(5-{[(5...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1
Show InChI InChI=1S/C18H18F2N4O2S2/c1-18(2,3)12-7-21-13(26-12)9-27-14-8-22-17(28-14)24-16(25)23-15-10(19)5-4-6-11(15)20/h4-8H,9H2,1-3H3,(H2,22,23,24,25)
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Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
 The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5665
PNG
(2-amino-5-thio-substituted thiazole 39 | 3-(5-{[(5...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3ccc(F)cc3)s2)o1
Show InChI InChI=1S/C18H19FN4O2S2/c1-18(2,3)13-8-20-14(25-13)10-26-15-9-21-17(27-15)23-16(24)22-12-6-4-11(19)5-7-12/h4-9H,10H2,1-3H3,(H2,21,22,23,24)
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Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5930
PNG
(BMS-387032 analog 20 | N-(5-{[(5-tert-butyl-1,3-ox...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)CC3CCNCC3)s2)o1
Show InChI InChI=1S/C18H26N4O2S2/c1-18(2,3)13-9-20-15(24-13)11-25-16-10-21-17(26-16)22-14(23)8-12-4-6-19-7-5-12/h9-10,12,19H,4-8,11H2,1-3H3,(H,21,22,23)
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n/an/a 11n/an/an/an/a8.030



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM5777
PNG
(4-butoxy-5-[(4-chloro-2,6-difluorophenyl)carbonyl]...)
Show SMILES CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(Cl)cc1F
Show InChI InChI=1S/C17H14ClF2N3O2/c1-2-3-4-25-16-10(7-21-17-11(16)8-22-23-17)15(24)14-12(19)5-9(18)6-13(14)20/h5-8H,2-4H2,1H3,(H,21,22,23)
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n/an/a 13n/an/an/an/a8.030



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

Bioorg Med Chem Lett 13: 2405-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00381-0
BindingDB Entry DOI: 10.7270/Q2ZS2TPW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM5778
PNG
(5-[(4-bromo-2,6-difluorophenyl)carbonyl]-4-butoxy-...)
Show SMILES CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(Br)cc1F
Show InChI InChI=1S/C17H14BrF2N3O2/c1-2-3-4-25-16-10(7-21-17-11(16)8-22-23-17)15(24)14-12(19)5-9(18)6-13(14)20/h5-8H,2-4H2,1H3,(H,21,22,23)
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n/an/a 17n/an/an/an/a8.030



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

Bioorg Med Chem Lett 13: 2405-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00381-0
BindingDB Entry DOI: 10.7270/Q2ZS2TPW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5663
PNG
(2-amino-5-thio-substituted thiazole 30 | N-(5-{[(5...)
Show SMILES CC(C)(C)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Show InChI InChI=1S/C16H23N3O2S2/c1-15(2,3)10-7-17-11(21-10)9-22-12-8-18-14(23-12)19-13(20)16(4,5)6/h7-8H,9H2,1-6H3,(H,18,19,20)
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM5664
PNG
(2-amino-5-thio-substituted thiazole 34 | [5-[[[5-t...)
Show SMILES CC(C)OC(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Show InChI InChI=1S/C15H21N3O3S2/c1-9(2)20-14(19)18-13-17-7-12(23-13)22-8-11-16-6-10(21-11)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19)
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n/an/a 18n/an/an/an/a8.030



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5934
PNG
(BMS-387032 analog 24 | N-(5-{[(5-tert-butyl-1,3-ox...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)s2)o1
Show InChI InChI=1S/C18H26N4O4S3/c1-18(2,3)13-9-19-14(26-13)11-27-15-10-20-17(28-15)21-16(23)12-5-7-22(8-6-12)29(4,24)25/h9-10,12H,5-8,11H2,1-4H3,(H,20,21,23)
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n/an/a 18n/an/an/an/a8.030



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM5665
PNG
(2-amino-5-thio-substituted thiazole 39 | 3-(5-{[(5...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3ccc(F)cc3)s2)o1
Show InChI InChI=1S/C18H19FN4O2S2/c1-18(2,3)13-8-20-14(25-13)10-26-15-9-21-17(27-15)23-16(24)22-12-6-4-11(19)5-7-12/h4-9H,10H2,1-3H3,(H2,21,22,23,24)
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n/an/a 19n/an/an/an/a8.030



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5778
PNG
(5-[(4-bromo-2,6-difluorophenyl)carbonyl]-4-butoxy-...)
Show SMILES CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(Br)cc1F
Show InChI InChI=1S/C17H14BrF2N3O2/c1-2-3-4-25-16-10(7-21-17-11(16)8-22-23-17)15(24)14-12(19)5-9(18)6-13(14)20/h5-8H,2-4H2,1H3,(H,21,22,23)
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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 in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

Bioorg Med Chem Lett 13: 2405-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00381-0
BindingDB Entry DOI: 10.7270/Q2ZS2TPW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5658
PNG
(2-amino-5-thio-substituted thiazole 14 | N-(5-{[(5...)
Show SMILES CCc1cnc(CSc2cnc(NC(C)=O)s2)o1
Show InChI InChI=1S/C11H13N3O2S2/c1-3-8-4-12-9(16-8)6-17-10-5-13-11(18-10)14-7(2)15/h4-5H,3,6H2,1-2H3,(H,13,14,15)
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5923
PNG
(3-amino-N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methy...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)CCN)s2)o1
Show InChI InChI=1S/C14H20N4O2S2/c1-14(2,3)9-6-16-11(20-9)8-21-12-7-17-13(22-12)18-10(19)4-5-15/h6-7H,4-5,8,15H2,1-3H3,(H,17,18,19)
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n/an/a 21n/an/an/an/a8.030



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5779
PNG
(4-butoxy-5-[(2,6-difluoro-4-methoxyphenyl)carbonyl...)
Show SMILES CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(OC)cc1F
Show InChI InChI=1S/C18H17F2N3O3/c1-3-4-5-26-17-11(8-21-18-12(17)9-22-23-18)16(24)15-13(19)6-10(25-2)7-14(15)20/h6-9H,3-5H2,1-2H3,(H,21,22,23)
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

Bioorg Med Chem Lett 13: 2405-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00381-0
BindingDB Entry DOI: 10.7270/Q2ZS2TPW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5936
PNG
(4-amino-N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methy...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)[C@@H]3CC[C@H](N)CC3)s2)o1 |r,wU:17.16,20.20,(-8.93,3.23,;-7.79,4.26,;-8.11,5.77,;-9.25,4.74,;-6.32,3.79,;-5.85,2.32,;-4.3,2.32,;-3.83,3.79,;-2.36,4.26,;-1.22,3.23,;.24,3.71,;.72,5.17,;2.26,5.17,;2.74,3.71,;4.2,3.23,;5.53,4,;5.53,5.54,;6.87,3.23,;6.87,1.69,;8.2,.92,;9.54,1.69,;10.87,.92,;9.54,3.23,;8.2,4,;1.49,2.8,;-5.07,4.69,)|
Show InChI InChI=1S/C18H26N4O2S2/c1-18(2,3)13-8-20-14(24-13)10-25-15-9-21-17(26-15)22-16(23)11-4-6-12(19)7-5-11/h8-9,11-12H,4-7,10,19H2,1-3H3,(H,21,22,23)/t11-,12+
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n/an/a 22n/an/an/an/a8.030



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5664
PNG
(2-amino-5-thio-substituted thiazole 34 | [5-[[[5-t...)
Show SMILES CC(C)OC(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Show InChI InChI=1S/C15H21N3O3S2/c1-9(2)20-14(19)18-13-17-7-12(23-13)22-8-11-16-6-10(21-11)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19)
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5683
PNG
(2-amino-5-thio-substituted thiazole 31 | BMS-38703...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)c3ccccc3)s2)o1
Show InChI InChI=1S/C18H19N3O2S2/c1-18(2,3)13-9-19-14(23-13)11-24-15-10-20-17(25-15)21-16(22)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,20,21,22)
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5683
PNG
(2-amino-5-thio-substituted thiazole 31 | BMS-38703...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)c3ccccc3)s2)o1
Show InChI InChI=1S/C18H19N3O2S2/c1-18(2,3)13-9-19-14(23-13)11-24-15-10-20-17(25-15)21-16(22)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,20,21,22)
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n/an/a 26n/an/an/an/a8.030



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5777
PNG
(4-butoxy-5-[(4-chloro-2,6-difluorophenyl)carbonyl]...)
Show SMILES CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(Cl)cc1F
Show InChI InChI=1S/C17H14ClF2N3O2/c1-2-3-4-25-16-10(7-21-17-11(16)8-22-23-17)15(24)14-12(19)5-9(18)6-13(14)20/h5-8H,2-4H2,1H3,(H,21,22,23)
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n/an/a 27n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

Bioorg Med Chem Lett 13: 2405-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00381-0
BindingDB Entry DOI: 10.7270/Q2ZS2TPW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5662
PNG
(2-amino-5-thio-substituted thiazole 29 | N-(5-{[(5...)
Show SMILES CC(C)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Show InChI InChI=1S/C15H21N3O2S2/c1-9(2)13(19)18-14-17-7-12(22-14)21-8-11-16-6-10(20-11)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
 The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a 30n/an/an/an/a8.030



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM5661
PNG
(2-amino-5-thio-substituted thiazole 26 | N-[5-({[5...)
Show SMILES CC(=O)Nc1ncc(SCc2ncc(CC3CCCCC3)o2)s1
Show InChI InChI=1S/C16H21N3O2S2/c1-11(20)19-16-18-9-15(23-16)22-10-14-17-8-13(21-14)7-12-5-3-2-4-6-12/h8-9,12H,2-7,10H2,1H3,(H,18,19,20)
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n/an/a 30n/an/an/an/a8.030



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM5662
PNG
(2-amino-5-thio-substituted thiazole 29 | N-(5-{[(5...)
Show SMILES CC(C)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Show InChI InChI=1S/C15H21N3O2S2/c1-9(2)13(19)18-14-17-7-12(22-14)21-8-11-16-6-10(20-11)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19)
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n/an/a 30n/an/an/an/a8.030



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM5667
PNG
(2-amino-5-thio-substituted thiazole 41 | 3-(5-{[(5...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(Cl)cccc3Cl)s2)o1
Show InChI InChI=1S/C18H18Cl2N4O2S2/c1-18(2,3)12-7-21-13(26-12)9-27-14-8-22-17(28-14)24-16(25)23-15-10(19)5-4-6-11(15)20/h4-8H,9H2,1-3H3,(H2,22,23,24,25)
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n/an/a 30n/an/an/an/a8.030



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM5668
PNG
(2-amino-5-thio-substituted thiazole 45 | BMS-38703...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC(CO)CO)cc3)s2)o1
Show InChI InChI=1S/C23H30N4O4S2/c1-23(2,3)18-10-25-20(31-18)14-32-21-11-26-22(33-21)27-19(30)8-15-4-6-16(7-5-15)9-24-17(12-28)13-29/h4-7,10-11,17,24,28-29H,8-9,12-14H2,1-3H3,(H,26,27,30)
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n/an/a 30n/an/an/an/a8.030



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

Bioorg Med Chem Lett 13: 1133-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00034-9
BindingDB Entry DOI: 10.7270/Q2V1230Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM5774
PNG
(4-butoxy-5-[(2,6-difluorophenyl)carbonyl]-1H-pyraz...)
Show SMILES CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C17H15F2N3O2/c1-2-3-7-24-16-10(8-20-17-11(16)9-21-22-17)15(23)14-12(18)5-4-6-13(14)19/h4-6,8-9H,2-3,7H2,1H3,(H,20,21,22)
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n/an/a 32n/an/an/an/a8.030



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

Bioorg Med Chem Lett 13: 2405-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00381-0
BindingDB Entry DOI: 10.7270/Q2ZS2TPW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5773
PNG
(4-butoxy-5-[(2-fluorophenyl)carbonyl]-1H-pyrazolo[...)
Show SMILES CCCCOc1c(cnc2[nH]ncc12)C(=O)c1ccccc1F
Show InChI InChI=1S/C17H16FN3O2/c1-2-3-8-23-16-12(9-19-17-13(16)10-20-21-17)15(22)11-6-4-5-7-14(11)18/h4-7,9-10H,2-3,8H2,1H3,(H,19,20,21)
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n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

Bioorg Med Chem Lett 13: 2405-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00381-0
BindingDB Entry DOI: 10.7270/Q2ZS2TPW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5775
PNG
(4-butoxy-5-[(2,4,6-trifluorophenyl)carbonyl]-1H-py...)
Show SMILES CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(F)cc1F
Show InChI InChI=1S/C17H14F3N3O2/c1-2-3-4-25-16-10(7-21-17-11(16)8-22-23-17)15(24)14-12(19)5-9(18)6-13(14)20/h5-8H,2-4H2,1H3,(H,21,22,23)
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n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

Bioorg Med Chem Lett 13: 2405-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00381-0
BindingDB Entry DOI: 10.7270/Q2ZS2TPW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM5660
PNG
(2-amino-5-thio-substituted thiazole 25 | 2-aminoth...)
Show SMILES CC(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Show InChI InChI=1S/C13H17N3O2S2/c1-8(17)16-12-15-6-11(20-12)19-7-10-14-5-9(18-10)13(2,3)4/h5-6H,7H2,1-4H3,(H,15,16,17)
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n/an/a 40n/an/an/an/a8.030



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5932
PNG
(1-Methyl-N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]...)
Show SMILES CN1CCC(CC1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Show InChI InChI=1S/C18H26N4O2S2/c1-18(2,3)13-9-19-14(24-13)11-25-15-10-20-17(26-15)21-16(23)12-5-7-22(4)8-6-12/h9-10,12H,5-8,11H2,1-4H3,(H,20,21,23)
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n/an/a 43n/an/an/an/a8.030



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5931
PNG
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)
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n/an/a 48n/an/an/an/a8.030



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5928
PNG
((+/-)-N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]met...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCN3)s2)o1
Show InChI InChI=1S/C16H22N4O2S2/c1-16(2,3)11-7-18-12(22-11)9-23-13-8-19-15(24-13)20-14(21)10-5-4-6-17-10/h7-8,10,17H,4-6,9H2,1-3H3,(H,19,20,21)
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n/an/a 50n/an/an/an/a8.030



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5926
PNG
(BMS-387032 analog 16 | N-(5-{[(5-tert-butyl-1,3-ox...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)CC3CCCCC3)s2)o1
Show InChI InChI=1S/C19H27N3O2S2/c1-19(2,3)14-10-20-16(24-14)12-25-17-11-21-18(26-17)22-15(23)9-13-7-5-4-6-8-13/h10-11,13H,4-9,12H2,1-3H3,(H,21,22,23)
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n/an/a 50n/an/an/an/a8.030



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
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