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15 molecules are shown

Wt: 310.3
BDBM5645
Wt: 324.3
BDBM5647
Wt: 353.3
BDBM6035
Wt: 383.4
BDBM6036
Wt: 367.4
BDBM6037
Wt: 425.4
BDBM6038
Wt: 382.4
BDBM6043
Wt: 409.4
BDBM6044
Wt: 467.4
BDBM6045
Wt: 424.4
BDBM6048
Wt: 480.5
BDBM6049
Wt: 437.5
BDBM6051
Wt: 509.5
BDBM6052
Wt: 535.6
BDBM6053
Wt: 549.6
BDBM6054

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 5645,5647,6035,6036,6037,6038,6043,6044,6045,6048,6049,6051,6052,6053,6054   
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))
BDBM5645
PNG
(3-(Thien-2-yl)-5-(carbamoylamino)indeno[1,2-c]pyra...)
Show SMILES NC(=O)Nc1cccc2-c3n[nH]c(-c4cccs4)c3C(=O)c12
Show InChI InChI=1S/C15H10N4O2S/c16-15(21)17-8-4-1-3-7-10(8)14(20)11-12(7)18-19-13(11)9-5-2-6-22-9/h1-6H,(H,18,19)(H3,16,17,21)
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n/an/a 150n/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 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6054
PNG
(5-{5-[(morpholin-4-ylcarbamoyl)amino]-4-oxo-2H,4H-...)
Show SMILES O=C(NN1CCOCC1)Nc1cccc2-c3n[nH]c(-c4ccc(s4)C(=O)NCCN4CCCCC4)c3C(=O)c12
Show InChI InChI=1S/C27H31N7O4S/c35-25-21-17(5-4-6-18(21)29-27(37)32-34-13-15-38-16-14-34)23-22(25)24(31-30-23)19-7-8-20(39-19)26(36)28-9-12-33-10-2-1-3-11-33/h4-8H,1-3,9-16H2,(H,28,36)(H,30,31)(H2,29,32,37)
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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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM5645
PNG
(3-(Thien-2-yl)-5-(carbamoylamino)indeno[1,2-c]pyra...)
Show SMILES NC(=O)Nc1cccc2-c3n[nH]c(-c4cccs4)c3C(=O)c12
Show InChI InChI=1S/C15H10N4O2S/c16-15(21)17-8-4-1-3-7-10(8)14(20)11-12(7)18-19-13(11)9-5-2-6-22-9/h1-6H,(H,18,19)(H3,16,17,21)
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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 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM5647
PNG
(3-(5-Methylthien-2-yl)-5-(carbamoylamino)indeno[1,...)
Show SMILES Cc1ccc(s1)-c1[nH]nc2-c3cccc(NC(N)=O)c3C(=O)c12
Show InChI InChI=1S/C16H12N4O2S/c1-7-5-6-10(23-7)14-12-13(19-20-14)8-3-2-4-9(18-16(17)22)11(8)15(12)21/h2-6H,1H3,(H,19,20)(H3,17,18,22)
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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 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6035
PNG
(3-(dimethylamino)-1-[4-oxo-3-(thiophen-2-yl)-2H,4H...)
Show SMILES CN(C)NC(=O)Nc1cccc2-c3n[nH]c(-c4cccs4)c3C(=O)c12
Show InChI InChI=1S/C17H15N5O2S/c1-22(2)21-17(24)18-10-6-3-5-9-12(10)16(23)13-14(9)19-20-15(13)11-7-4-8-25-11/h3-8H,1-2H3,(H,19,20)(H2,18,21,24)
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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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6036
PNG
(3-(dimethylamino)-1-[3-(5-methoxythiophen-2-yl)-4-...)
Show SMILES COc1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN(C)C)c3C(=O)c12
Show InChI InChI=1S/C18H17N5O3S/c1-23(2)22-18(25)19-10-6-4-5-9-13(10)17(24)14-15(9)20-21-16(14)11-7-8-12(26-3)27-11/h4-8H,1-3H3,(H,20,21)(H2,19,22,25)
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n/an/a 84n/an/an/an/a7.622



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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6037
PNG
(3-(dimethylamino)-1-[3-(5-methylthiophen-2-yl)-4-o...)
Show SMILES CN(C)NC(=O)Nc1cccc2-c3n[nH]c(-c4ccc(C)s4)c3C(=O)c12
Show InChI InChI=1S/C18H17N5O2S/c1-9-7-8-12(26-9)16-14-15(20-21-16)10-5-4-6-11(13(10)17(14)24)19-18(25)22-23(2)3/h4-8H,1-3H3,(H,20,21)(H2,19,22,25)
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n/an/a 81n/an/an/an/a7.622



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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6038
PNG
(C3 heterocyle indenopyrazole 8d | ethyl 5-{5-[(N',...)
Show SMILES CCOC(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN(C)C)c3C(=O)c12
Show InChI InChI=1S/C20H19N5O4S/c1-4-29-19(27)13-9-8-12(30-13)17-15-16(22-23-17)10-6-5-7-11(14(10)18(15)26)21-20(28)24-25(2)3/h5-9H,4H2,1-3H3,(H,22,23)(H2,21,24,28)
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n/an/a 185n/an/an/an/a7.622



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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6043
PNG
(1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2H,4H-i...)
Show SMILES CN(C)NC(=O)Nc1cccc2-c3n[nH]c(-c4sc(C)nc4C)c3C(=O)c12
Show InChI InChI=1S/C18H18N6O2S/c1-8-17(27-9(2)19-8)15-13-14(21-22-15)10-6-5-7-11(12(10)16(13)25)20-18(26)23-24(3)4/h5-7H,1-4H3,(H,21,22)(H2,20,23,26)
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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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6044
PNG
(3-[3-(5-methylthiophen-2-yl)-4-oxo-2H,4H-indeno[1,...)
Show SMILES Cc1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
Show InChI InChI=1S/C20H19N5O3S/c1-11-5-6-14(29-11)18-16-17(22-23-18)12-3-2-4-13(15(12)19(16)26)21-20(27)24-25-7-9-28-10-8-25/h2-6H,7-10H2,1H3,(H,22,23)(H2,21,24,27)
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n/an/a 23n/an/an/an/a7.622



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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6045
PNG
(C3 heterocyle indenopyrazole 8k | ethyl 5-{5-[(mor...)
Show SMILES CCOC(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
Show InChI InChI=1S/C22H21N5O5S/c1-2-32-21(29)15-7-6-14(33-15)19-17-18(24-25-19)12-4-3-5-13(16(12)20(17)28)23-22(30)26-27-8-10-31-11-9-27/h3-7H,2,8-11H2,1H3,(H,24,25)(H2,23,26,30)
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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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6048
PNG
(3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2H,4H-i...)
Show SMILES Cc1nc(C)c(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
Show InChI InChI=1S/C20H20N6O3S/c1-10-19(30-11(2)21-10)17-15-16(23-24-17)12-4-3-5-13(14(12)18(15)27)22-20(28)25-26-6-8-29-9-7-26/h3-5H,6-9H2,1-2H3,(H,23,24)(H2,22,25,28)
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n/an/a>370n/an/an/an/a7.622



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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6049
PNG
(C3 heterocyle indenopyrazole 8o | ethyl 5-(5-{[(4-...)
Show SMILES CCOC(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCN(C)CC4)c3C(=O)c12
Show InChI InChI=1S/C23H24N6O4S/c1-3-33-22(31)16-8-7-15(34-16)20-18-19(25-26-20)13-5-4-6-14(17(13)21(18)30)24-23(32)27-29-11-9-28(2)10-12-29/h4-8H,3,9-12H2,1-2H3,(H,25,26)(H2,24,27,32)
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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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6051
PNG
(3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2H,4H-i...)
Show SMILES CN1CCN(CC1)NC(=O)Nc1cccc2-c3n[nH]c(-c4sc(C)nc4C)c3C(=O)c12
Show InChI InChI=1S/C21H23N7O2S/c1-11-20(31-12(2)22-11)18-16-17(24-25-18)13-5-4-6-14(15(13)19(16)29)23-21(30)26-28-9-7-27(3)8-10-28/h4-6H,7-10H2,1-3H3,(H,24,25)(H2,23,26,30)
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n/an/a 46n/an/an/an/a7.622



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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6052
PNG
(C3 thienylamide indenopyrazole 10a | N-[2-(dimethy...)
Show SMILES CN(C)CCNC(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
Show InChI InChI=1S/C24H27N7O4S/c1-30(2)9-8-25-23(33)17-7-6-16(36-17)21-19-20(27-28-21)14-4-3-5-15(18(14)22(19)32)26-24(34)29-31-10-12-35-13-11-31/h3-7H,8-13H2,1-2H3,(H,25,33)(H,27,28)(H2,26,29,34)
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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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6053
PNG
(5-{5-[(morpholin-4-ylcarbamoyl)amino]-4-oxo-2H,4H-...)
Show SMILES O=C(NN1CCOCC1)Nc1cccc2-c3n[nH]c(-c4ccc(s4)C(=O)NCCN4CCCC4)c3C(=O)c12
Show InChI InChI=1S/C26H29N7O4S/c34-24-20-16(4-3-5-17(20)28-26(36)31-33-12-14-37-15-13-33)22-21(24)23(30-29-22)18-6-7-19(38-18)25(35)27-8-11-32-9-1-2-10-32/h3-7H,1-2,8-15H2,(H,27,35)(H,29,30)(H2,28,31,36)
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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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6054
PNG
(5-{5-[(morpholin-4-ylcarbamoyl)amino]-4-oxo-2H,4H-...)
Show SMILES O=C(NN1CCOCC1)Nc1cccc2-c3n[nH]c(-c4ccc(s4)C(=O)NCCN4CCCCC4)c3C(=O)c12
Show InChI InChI=1S/C27H31N7O4S/c35-25-21-17(5-4-6-18(21)29-27(37)32-34-13-15-38-16-14-34)23-22(25)24(31-30-23)19-7-8-20(39-19)26(36)28-9-12-33-10-2-1-3-11-33/h4-8H,1-3,9-16H2,(H,28,36)(H,30,31)(H2,29,32,37)
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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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6035
PNG
(3-(dimethylamino)-1-[4-oxo-3-(thiophen-2-yl)-2H,4H...)
Show SMILES CN(C)NC(=O)Nc1cccc2-c3n[nH]c(-c4cccs4)c3C(=O)c12
Show InChI InChI=1S/C17H15N5O2S/c1-22(2)21-17(24)18-10-6-3-5-9-12(10)16(23)13-14(9)19-20-15(13)11-7-4-8-25-11/h3-8H,1-2H3,(H,19,20)(H2,18,21,24)
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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 GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6036
PNG
(3-(dimethylamino)-1-[3-(5-methoxythiophen-2-yl)-4-...)
Show SMILES COc1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN(C)C)c3C(=O)c12
Show InChI InChI=1S/C18H17N5O3S/c1-23(2)22-18(25)19-10-6-4-5-9-13(10)17(24)14-15(9)20-21-16(14)11-7-8-12(26-3)27-11/h4-8H,1-3H3,(H,20,21)(H2,19,22,25)
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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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6037
PNG
(3-(dimethylamino)-1-[3-(5-methylthiophen-2-yl)-4-o...)
Show SMILES CN(C)NC(=O)Nc1cccc2-c3n[nH]c(-c4ccc(C)s4)c3C(=O)c12
Show InChI InChI=1S/C18H17N5O2S/c1-9-7-8-12(26-9)16-14-15(20-21-16)10-5-4-6-11(13(10)17(14)24)19-18(25)22-23(2)3/h4-8H,1-3H3,(H,20,21)(H2,19,22,25)
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n/an/a 25n/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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6038
PNG
(C3 heterocyle indenopyrazole 8d | ethyl 5-{5-[(N',...)
Show SMILES CCOC(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN(C)C)c3C(=O)c12
Show InChI InChI=1S/C20H19N5O4S/c1-4-29-19(27)13-9-8-12(30-13)17-15-16(22-23-17)10-6-5-7-11(14(10)18(15)26)21-20(28)24-25(2)3/h5-9H,4H2,1-3H3,(H,22,23)(H2,21,24,28)
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n/an/a 28n/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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6043
PNG
(1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2H,4H-i...)
Show SMILES CN(C)NC(=O)Nc1cccc2-c3n[nH]c(-c4sc(C)nc4C)c3C(=O)c12
Show InChI InChI=1S/C18H18N6O2S/c1-8-17(27-9(2)19-8)15-13-14(21-22-15)10-6-5-7-11(12(10)16(13)25)20-18(26)23-24(3)4/h5-7H,1-4H3,(H,21,22)(H2,20,23,26)
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n/an/a 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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6044
PNG
(3-[3-(5-methylthiophen-2-yl)-4-oxo-2H,4H-indeno[1,...)
Show SMILES Cc1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
Show InChI InChI=1S/C20H19N5O3S/c1-11-5-6-14(29-11)18-16-17(22-23-18)12-3-2-4-13(15(12)19(16)26)21-20(27)24-25-7-9-28-10-8-25/h2-6H,7-10H2,1H3,(H,22,23)(H2,21,24,27)
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n/an/a 10n/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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6045
PNG
(C3 heterocyle indenopyrazole 8k | ethyl 5-{5-[(mor...)
Show SMILES CCOC(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
Show InChI InChI=1S/C22H21N5O5S/c1-2-32-21(29)15-7-6-14(33-15)19-17-18(24-25-19)12-4-3-5-13(16(12)20(17)28)23-22(30)26-27-8-10-31-11-9-27/h3-7H,2,8-11H2,1H3,(H,24,25)(H2,23,26,30)
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n/an/a 31n/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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6048
PNG
(3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2H,4H-i...)
Show SMILES Cc1nc(C)c(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
Show InChI InChI=1S/C20H20N6O3S/c1-10-19(30-11(2)21-10)17-15-16(23-24-17)12-4-3-5-13(14(12)18(15)27)22-20(28)25-26-6-8-29-9-7-26/h3-5H,6-9H2,1-2H3,(H,23,24)(H2,22,25,28)
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n/an/a 9n/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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6049
PNG
(C3 heterocyle indenopyrazole 8o | ethyl 5-(5-{[(4-...)
Show SMILES CCOC(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCN(C)CC4)c3C(=O)c12
Show InChI InChI=1S/C23H24N6O4S/c1-3-33-22(31)16-8-7-15(34-16)20-18-19(25-26-20)13-5-4-6-14(17(13)21(18)30)24-23(32)27-29-11-9-28(2)10-12-29/h4-8H,3,9-12H2,1-2H3,(H,25,26)(H2,24,27,32)
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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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6051
PNG
(3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2H,4H-i...)
Show SMILES CN1CCN(CC1)NC(=O)Nc1cccc2-c3n[nH]c(-c4sc(C)nc4C)c3C(=O)c12
Show InChI InChI=1S/C21H23N7O2S/c1-11-20(31-12(2)22-11)18-16-17(24-25-18)13-5-4-6-14(15(13)19(16)29)23-21(30)26-28-9-7-27(3)8-10-28/h4-6H,7-10H2,1-3H3,(H,24,25)(H2,23,26,30)
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n/an/a 8n/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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM6052
PNG
(C3 thienylamide indenopyrazole 10a | N-[2-(dimethy...)
Show SMILES CN(C)CCNC(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
Show InChI InChI=1S/C24H27N7O4S/c1-30(2)9-8-25-23(33)17-7-6-16(36-17)21-19-20(27-28-21)14-4-3-5-15(18(14)22(19)32)26-24(34)29-31-10-12-35-13-11-31/h3-7H,8-13H2,1-2H3,(H,25,33)(H,27,28)(H2,26,29,34)
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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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6053
PNG
(5-{5-[(morpholin-4-ylcarbamoyl)amino]-4-oxo-2H,4H-...)
Show SMILES O=C(NN1CCOCC1)Nc1cccc2-c3n[nH]c(-c4ccc(s4)C(=O)NCCN4CCCC4)c3C(=O)c12
Show InChI InChI=1S/C26H29N7O4S/c34-24-20-16(4-3-5-17(20)28-26(36)31-33-12-14-37-15-13-33)22-21(24)23(30-29-22)18-6-7-19(38-18)25(35)27-8-11-32-9-1-2-10-32/h3-7H,1-2,8-15H2,(H,27,35)(H,29,30)(H2,28,31,36)
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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...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM5647
PNG
(3-(5-Methylthien-2-yl)-5-(carbamoylamino)indeno[1,...)
Show SMILES Cc1ccc(s1)-c1[nH]nc2-c3cccc(NC(N)=O)c3C(=O)c12
Show InChI InChI=1S/C16H12N4O2S/c1-7-5-6-10(23-7)14-12-13(19-20-14)8-3-2-4-9(18-16(17)22)11(8)15(12)21/h2-6H,1H3,(H,19,20)(H3,17,18,22)
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n/an/a 53n/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 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair