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15 molecules are shown

Wt: 458.5
BDBM5612
Wt: 267.2
BDBM5622
Wt: 283.3
BDBM5624
Wt: 283.3
BDBM5625
Wt: 309.3
BDBM5626
Wt: 381.4
BDBM5627
Wt: 395.4
BDBM5628
Wt: 393.4
BDBM5629
Wt: 435.5
BDBM5630
Wt: 367.4
BDBM5631
Wt: 381.4
BDBM5632
Wt: 379.4
BDBM5633
Wt: 421.5
BDBM5634
Wt: 310.3
BDBM5644
Wt: 269.2
BDBM5621

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 5612,5622,5624,5625,5626,5627,5628,5629,5630,5631,5632,5633,5634,5644,5621   
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))
BDBM5612
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-{3-[4-(dimethy...)
Show SMILES CN(C)c1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12
Show InChI InChI=1S/C26H30N6O2/c1-31(2)18-8-6-17(7-9-18)24-23-25(30-29-24)19-4-3-5-20(22(19)26(23)34)28-21(33)15-32-12-10-16(14-27)11-13-32/h3-9,16H,10-15,27H2,1-2H3,(H,28,33)(H,29,30)
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n/an/a 7n/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))
BDBM5644
PNG
(3-Cyclohexyl-5-(carbamoylamino)indeno[1,2-c]pyrazo...)
Show SMILES NC(=O)Nc1cccc2-c3n[nH]c(C4CCCCC4)c3C(=O)c12
Show InChI InChI=1S/C17H18N4O2/c18-17(23)19-11-8-4-7-10-12(11)16(22)13-14(20-21-15(10)13)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,20,21)(H3,18,19,23)
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n/an/a 140n/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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM5621
PNG
(3-Isopropyl-5-(acetamido)indeno[1,2-c]pyrazol-4-on...)
Show SMILES CC(C)c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C15H15N3O2/c1-7(2)13-12-14(18-17-13)9-5-4-6-10(16-8(3)19)11(9)15(12)20/h4-7H,1-3H3,(H,16,19)(H,17,18)
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n/an/a>3.70E+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 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))
BDBM5622
PNG
(3-Cyclopropyl-5-(acetamido)indeno[1,2-c]pyrazol-4-...)
Show SMILES CC(=O)Nc1cccc2-c3n[nH]c(C4CC4)c3C(=O)c12
Show InChI InChI=1S/C15H13N3O2/c1-7(19)16-10-4-2-3-9-11(10)15(20)12-13(8-5-6-8)17-18-14(9)12/h2-4,8H,5-6H2,1H3,(H,16,19)(H,17,18)
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n/an/a>3.70E+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 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))
BDBM5621
PNG
(3-Isopropyl-5-(acetamido)indeno[1,2-c]pyrazol-4-on...)
Show SMILES CC(C)c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C15H15N3O2/c1-7(2)13-12-14(18-17-13)9-5-4-6-10(16-8(3)19)11(9)15(12)20/h4-7H,1-3H3,(H,16,19)(H,17,18)
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n/an/a 840n/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))
BDBM5622
PNG
(3-Cyclopropyl-5-(acetamido)indeno[1,2-c]pyrazol-4-...)
Show SMILES CC(=O)Nc1cccc2-c3n[nH]c(C4CC4)c3C(=O)c12
Show InChI InChI=1S/C15H13N3O2/c1-7(19)16-10-4-2-3-9-11(10)15(20)12-13(8-5-6-8)17-18-14(9)12/h2-4,8H,5-6H2,1H3,(H,16,19)(H,17,18)
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n/an/a 480n/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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM5624
PNG
(3-n-Butyl-5-(acetamido)indeno[1,2-c]pyrazol-4-one ...)
Show SMILES CCCCc1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C16H17N3O2/c1-3-4-7-12-14-15(19-18-12)10-6-5-8-11(17-9(2)20)13(10)16(14)21/h5-6,8H,3-4,7H2,1-2H3,(H,17,20)(H,18,19)
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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))
BDBM5625
PNG
(3-t-Butyl-5-(acetamido)indeno[1,2-c]pyrazol-4-one ...)
Show SMILES CC(=O)Nc1cccc2-c3n[nH]c(c3C(=O)c12)C(C)(C)C
Show InChI InChI=1S/C16H17N3O2/c1-8(20)17-10-7-5-6-9-11(10)14(21)12-13(9)18-19-15(12)16(2,3)4/h5-7H,1-4H3,(H,17,20)(H,18,19)
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n/an/a>3.50E+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 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))
BDBM5626
PNG
(3-Cyclohexyl-5-(acetamido)indeno[1,2-c]pyrazol-4-o...)
Show SMILES CC(=O)Nc1cccc2-c3n[nH]c(C4CCCCC4)c3C(=O)c12
Show InChI InChI=1S/C18H19N3O2/c1-10(22)19-13-9-5-8-12-14(13)18(23)15-16(20-21-17(12)15)11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7H2,1H3,(H,19,22)(H,20,21)
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n/an/a>3.20E+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 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))
BDBM5627
PNG
(1-[({3-ethyl-4-oxo-2H,4H-indeno[1,2-c]pyrazol-5-yl...)
Show SMILES CCc1[nH]nc2-c3cccc(NC(=O)CN4CCC(CC4)C(N)=O)c3C(=O)c12
Show InChI InChI=1S/C20H23N5O3/c1-2-13-17-18(24-23-13)12-4-3-5-14(16(12)19(17)27)22-15(26)10-25-8-6-11(7-9-25)20(21)28/h3-5,11H,2,6-10H2,1H3,(H2,21,28)(H,22,26)(H,23,24)
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n/an/a>2.60E+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 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))
BDBM5628
PNG
(1-({[4-oxo-3-(propan-2-yl)-2H,4H-indeno[1,2-c]pyra...)
Show SMILES CC(C)c1[nH]nc2-c3cccc(NC(=O)CN4CCC(CC4)C(N)=O)c3C(=O)c12
Show InChI InChI=1S/C21H25N5O3/c1-11(2)18-17-19(25-24-18)13-4-3-5-14(16(13)20(17)28)23-15(27)10-26-8-6-12(7-9-26)21(22)29/h3-5,11-12H,6-10H2,1-2H3,(H2,22,29)(H,23,27)(H,24,25)
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n/an/a>1.30E+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 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))
BDBM5629
PNG
(1-[({3-cyclopropyl-4-oxo-2H,4H-indeno[1,2-c]pyrazo...)
Show SMILES NC(=O)C1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CC5)c4C(=O)c23)CC1
Show InChI InChI=1S/C21H23N5O3/c22-21(29)12-6-8-26(9-7-12)10-15(27)23-14-3-1-2-13-16(14)20(28)17-18(11-4-5-11)24-25-19(13)17/h1-3,11-12H,4-10H2,(H2,22,29)(H,23,27)(H,24,25)
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n/an/a>99n/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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM5630
PNG
(1-[({3-cyclohexyl-4-oxo-2H,4H-indeno[1,2-c]pyrazol...)
Show SMILES NC(=O)C1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CCCCC5)c4C(=O)c23)CC1
Show InChI InChI=1S/C24H29N5O3/c25-24(32)15-9-11-29(12-10-15)13-18(30)26-17-8-4-7-16-19(17)23(31)20-21(27-28-22(16)20)14-5-2-1-3-6-14/h4,7-8,14-15H,1-3,5-6,9-13H2,(H2,25,32)(H,26,30)(H,27,28)
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n/an/a>570n/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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM5631
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-{3-ethyl-4-oxo...)
Show SMILES CCc1[nH]nc2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12
Show InChI InChI=1S/C20H25N5O2/c1-2-14-18-19(24-23-14)13-4-3-5-15(17(13)20(18)27)22-16(26)11-25-8-6-12(10-21)7-9-25/h3-5,12H,2,6-11,21H2,1H3,(H,22,26)(H,23,24)
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n/an/a 1.30E+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 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))
BDBM5632
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-[4-oxo-3-(prop...)
Show SMILES CC(C)c1[nH]nc2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12
Show InChI InChI=1S/C21H27N5O2/c1-12(2)19-18-20(25-24-19)14-4-3-5-15(17(14)21(18)28)23-16(27)11-26-8-6-13(10-22)7-9-26/h3-5,12-13H,6-11,22H2,1-2H3,(H,23,27)(H,24,25)
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n/an/a 340n/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))
BDBM5624
PNG
(3-n-Butyl-5-(acetamido)indeno[1,2-c]pyrazol-4-one ...)
Show SMILES CCCCc1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C16H17N3O2/c1-3-4-7-12-14-15(19-18-12)10-6-5-8-11(17-9(2)20)13(10)16(14)21/h5-6,8H,3-4,7H2,1-2H3,(H,17,20)(H,18,19)
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n/an/a>3.50E+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 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))
BDBM5625
PNG
(3-t-Butyl-5-(acetamido)indeno[1,2-c]pyrazol-4-one ...)
Show SMILES CC(=O)Nc1cccc2-c3n[nH]c(c3C(=O)c12)C(C)(C)C
Show InChI InChI=1S/C16H17N3O2/c1-8(20)17-10-7-5-6-9-11(10)14(21)12-13(9)18-19-15(12)16(2,3)4/h5-7H,1-4H3,(H,17,20)(H,18,19)
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n/an/a 980n/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))
BDBM5626
PNG
(3-Cyclohexyl-5-(acetamido)indeno[1,2-c]pyrazol-4-o...)
Show SMILES CC(=O)Nc1cccc2-c3n[nH]c(C4CCCCC4)c3C(=O)c12
Show InChI InChI=1S/C18H19N3O2/c1-10(22)19-13-9-5-8-12-14(13)18(23)15-16(20-21-17(12)15)11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7H2,1H3,(H,19,22)(H,20,21)
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n/an/a 1.10E+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 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))
BDBM5627
PNG
(1-[({3-ethyl-4-oxo-2H,4H-indeno[1,2-c]pyrazol-5-yl...)
Show SMILES CCc1[nH]nc2-c3cccc(NC(=O)CN4CCC(CC4)C(N)=O)c3C(=O)c12
Show InChI InChI=1S/C20H23N5O3/c1-2-13-17-18(24-23-13)12-4-3-5-14(16(12)19(17)27)22-15(26)10-25-8-6-11(7-9-25)20(21)28/h3-5,11H,2,6-10H2,1H3,(H2,21,28)(H,22,26)(H,23,24)
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n/an/a>130n/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))
BDBM5628
PNG
(1-({[4-oxo-3-(propan-2-yl)-2H,4H-indeno[1,2-c]pyra...)
Show SMILES CC(C)c1[nH]nc2-c3cccc(NC(=O)CN4CCC(CC4)C(N)=O)c3C(=O)c12
Show InChI InChI=1S/C21H25N5O3/c1-11(2)18-17-19(25-24-18)13-4-3-5-14(16(13)20(17)28)23-15(27)10-26-8-6-12(7-9-26)21(22)29/h3-5,11-12H,6-10H2,1-2H3,(H2,22,29)(H,23,27)(H,24,25)
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n/an/a 21n/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))
BDBM5629
PNG
(1-[({3-cyclopropyl-4-oxo-2H,4H-indeno[1,2-c]pyrazo...)
Show SMILES NC(=O)C1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CC5)c4C(=O)c23)CC1
Show InChI InChI=1S/C21H23N5O3/c22-21(29)12-6-8-26(9-7-12)10-15(27)23-14-3-1-2-13-16(14)20(28)17-18(11-4-5-11)24-25-19(13)17/h1-3,11-12H,4-10H2,(H2,22,29)(H,23,27)(H,24,25)
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n/an/a 26n/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))
BDBM5630
PNG
(1-[({3-cyclohexyl-4-oxo-2H,4H-indeno[1,2-c]pyrazol...)
Show SMILES NC(=O)C1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CCCCC5)c4C(=O)c23)CC1
Show InChI InChI=1S/C24H29N5O3/c25-24(32)15-9-11-29(12-10-15)13-18(30)26-17-8-4-7-16-19(17)23(31)20-21(27-28-22(16)20)14-5-2-1-3-6-14/h4,7-8,14-15H,1-3,5-6,9-13H2,(H2,25,32)(H,26,30)(H,27,28)
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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 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))
BDBM5631
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-{3-ethyl-4-oxo...)
Show SMILES CCc1[nH]nc2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12
Show InChI InChI=1S/C20H25N5O2/c1-2-14-18-19(24-23-14)13-4-3-5-15(17(13)20(18)27)22-16(26)11-25-8-6-12(10-21)7-9-25/h3-5,12H,2,6-11,21H2,1H3,(H,22,26)(H,23,24)
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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...


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))
BDBM5632
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-[4-oxo-3-(prop...)
Show SMILES CC(C)c1[nH]nc2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12
Show InChI InChI=1S/C21H27N5O2/c1-12(2)19-18-20(25-24-19)14-4-3-5-15(17(14)21(18)28)23-16(27)11-26-8-6-13(10-22)7-9-26/h3-5,12-13H,6-11,22H2,1-2H3,(H,23,27)(H,24,25)
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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))
BDBM5633
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-{3-cyclopropyl...)
Show SMILES NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CC5)c4C(=O)c23)CC1
Show InChI InChI=1S/C21H25N5O2/c22-10-12-6-8-26(9-7-12)11-16(27)23-15-3-1-2-14-17(15)21(28)18-19(13-4-5-13)24-25-20(14)18/h1-3,12-13H,4-11,22H2,(H,23,27)(H,24,25)
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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))
BDBM5634
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-{3-cyclohexyl-...)
Show SMILES NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CCCCC5)c4C(=O)c23)CC1
Show InChI InChI=1S/C24H31N5O2/c25-13-15-9-11-29(12-10-15)14-19(30)26-18-8-4-7-17-20(18)24(31)21-22(27-28-23(17)21)16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14,25H2,(H,26,30)(H,27,28)
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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 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))
BDBM5633
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-{3-cyclopropyl...)
Show SMILES NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CC5)c4C(=O)c23)CC1
Show InChI InChI=1S/C21H25N5O2/c22-10-12-6-8-26(9-7-12)11-16(27)23-15-3-1-2-14-17(15)21(28)18-19(13-4-5-13)24-25-20(14)18/h1-3,12-13H,4-11,22H2,(H,23,27)(H,24,25)
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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))
BDBM5634
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-{3-cyclohexyl-...)
Show SMILES NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CCCCC5)c4C(=O)c23)CC1
Show InChI InChI=1S/C24H31N5O2/c25-13-15-9-11-29(12-10-15)14-19(30)26-18-8-4-7-17-20(18)24(31)21-22(27-28-23(17)21)16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14,25H2,(H,26,30)(H,27,28)
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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 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM5644
PNG
(3-Cyclohexyl-5-(carbamoylamino)indeno[1,2-c]pyrazo...)
Show SMILES NC(=O)Nc1cccc2-c3n[nH]c(C4CCCCC4)c3C(=O)c12
Show InChI InChI=1S/C17H18N4O2/c18-17(23)19-11-8-4-7-10-12(11)16(22)13-14(20-21-15(10)13)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,20,21)(H3,18,19,23)
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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))
BDBM5612
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-{3-[4-(dimethy...)
Show SMILES CN(C)c1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12
Show InChI InChI=1S/C26H30N6O2/c1-31(2)18-8-6-17(7-9-18)24-23-25(30-29-24)19-4-3-5-20(22(19)26(23)34)28-21(33)15-32-12-10-16(14-27)11-13-32/h3-9,16H,10-15,27H2,1-2H3,(H,28,33)(H,29,30)
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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 45: 5233-48 (2002)


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