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17 similar compounds to monomer 6379

Compile data set for download or QSAR
Wt: 475.5
BDBM6320
Wt: 461.5
BDBM6321
Wt: 404.5
BDBM6352
Wt: 418.5
BDBM6359
Wt: 418.5
BDBM6364
Wt: 432.5
BDBM6368
Wt: 446.5
BDBM6369
Wt: 418.5
BDBM6373
Wt: 448.5
BDBM6374
Wt: 432.5
BDBM6375
Wt: 432.5
BDBM6376
Wt: 418.5
BDBM6378
Wt: 448.5
BDBM6385
Wt: 419.5
BDBM6291
Wt: 446.5
BDBM6302
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 59 hits for monomerid = 6320,6321,6352,6359,6364,6368,6369,6373,6374,6375,6376,6378,6385,6291,6302   
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))
BDBM6291
PNG
(8-Cyclopentyl-6-ethyl-2-(5-piperazin-1-yl-pyridin-...)
Show SMILES CCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C23H29N7O/c1-2-16-13-17-14-26-23(28-21(17)30(22(16)31)18-5-3-4-6-18)27-20-8-7-19(15-25-20)29-11-9-24-10-12-29/h7-8,13-15,18,24H,2-6,9-12H2,1H3,(H,25,26,27,28)
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n/an/a 22n/an/an/an/a7.425



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2388-406 (2005)


Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM6302
PNG
(8-cyclopentyl-6-acetyl-5-methyl-2-{[4-(piperazin-1...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H30N6O2/c1-16-21-15-27-25(28-18-7-9-19(10-8-18)30-13-11-26-12-14-30)29-23(21)31(20-5-3-4-6-20)24(33)22(16)17(2)32/h7-10,15,20,26H,3-6,11-14H2,1-2H3,(H,27,28,29)
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n/an/a 230n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin) using GST-fused pRb (792 to 928) as substrate preincubated for 2 mins followed by [gamma-32P]-ATP addition measur...


Bioorg Med Chem Lett 25: 3420-35 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6320
PNG
(6-Acetyl-8-cyclopentyl-2-[5-(3,5-dimethyl-piperazi...)
Show SMILES CC1CN(CC(C)N1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
Show InChI InChI=1/C26H33N7O2/c1-15-13-32(14-16(2)29-15)20-9-10-22(27-11-20)30-26-28-12-21-17(3)23(18(4)34)25(35)33(24(21)31-26)19-7-5-6-8-19/h9-12,15-16,19,29H,5-8,13-14H2,1-4H3,(H,27,28,30,31)
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n/an/a 37n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2388-406 (2005)


Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6321
PNG
(6-Acetyl-8-cyclopentyl-5-methyl-2-[5-(4-methyl-pip...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C25H31N7O2/c1-16-20-15-27-25(28-21-9-8-19(14-26-21)31-12-10-30(3)11-13-31)29-23(20)32(18-6-4-5-7-18)24(34)22(16)17(2)33/h8-9,14-15,18H,4-7,10-13H2,1-3H3,(H,26,27,28,29)
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n/an/a 5n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2388-406 (2005)


Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM6291
PNG
(8-Cyclopentyl-6-ethyl-2-(5-piperazin-1-yl-pyridin-...)
Show SMILES CCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C23H29N7O/c1-2-16-13-17-14-26-23(28-21(17)30(22(16)31)18-5-3-4-6-18)27-20-8-7-19(15-25-20)29-11-9-24-10-12-29/h7-8,13-15,18,24H,2-6,9-12H2,1H3,(H,25,26,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2388-406 (2005)


Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM6302
PNG
(8-cyclopentyl-6-acetyl-5-methyl-2-{[4-(piperazin-1...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H30N6O2/c1-16-21-15-27-25(28-18-7-9-19(10-8-18)30-13-11-26-12-14-30)29-23(21)31(20-5-3-4-6-20)24(33)22(16)17(2)32/h7-10,15,20,26H,3-6,11-14H2,1-2H3,(H,27,28,29)
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n/an/a 230n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2388-406 (2005)


Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM6320
PNG
(6-Acetyl-8-cyclopentyl-2-[5-(3,5-dimethyl-piperazi...)
Show SMILES CC1CN(CC(C)N1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
Show InChI InChI=1/C26H33N7O2/c1-15-13-32(14-16(2)29-15)20-9-10-22(27-11-20)30-26-28-12-21-17(3)23(18(4)34)25(35)33(24(21)31-26)19-7-5-6-8-19/h9-12,15-16,19,29H,5-8,13-14H2,1-4H3,(H,27,28,30,31)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2388-406 (2005)


Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM6321
PNG
(6-Acetyl-8-cyclopentyl-5-methyl-2-[5-(4-methyl-pip...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C25H31N7O2/c1-16-20-15-27-25(28-21-9-8-19(14-26-21)31-12-10-30(3)11-13-31)29-23(20)32(18-6-4-5-7-18)24(34)22(16)17(2)33/h8-9,14-15,18H,4-7,10-13H2,1-3H3,(H,26,27,28,29)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2388-406 (2005)


Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6352
PNG
(2-Aminoquinazoline 31 | 8-cyclopentyl-5-methyl-2-{...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C23H28N6O/c1-16-14-21(30)29(19-4-2-3-5-19)22-20(16)15-25-23(27-22)26-17-6-8-18(9-7-17)28-12-10-24-11-13-28/h6-9,14-15,19,24H,2-5,10-13H2,1H3,(H,25,26,27)
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n/an/a>5.00E+3n/an/an/an/an/an/a



NAEJA Pharmaceutical Inc.



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


Bioorg Med Chem Lett 15: 3881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM6352
PNG
(2-Aminoquinazoline 31 | 8-cyclopentyl-5-methyl-2-{...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C23H28N6O/c1-16-14-21(30)29(19-4-2-3-5-19)22-20(16)15-25-23(27-22)26-17-6-8-18(9-7-17)28-12-10-24-11-13-28/h6-9,14-15,19,24H,2-5,10-13H2,1H3,(H,25,26,27)
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n/an/a>5.00E+3n/an/an/an/an/an/a



NAEJA Pharmaceutical Inc.



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


Bioorg Med Chem Lett 15: 3881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM6352
PNG
(2-Aminoquinazoline 31 | 8-cyclopentyl-5-methyl-2-{...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C23H28N6O/c1-16-14-21(30)29(19-4-2-3-5-19)22-20(16)15-25-23(27-22)26-17-6-8-18(9-7-17)28-12-10-24-11-13-28/h6-9,14-15,19,24H,2-5,10-13H2,1H3,(H,25,26,27)
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n/an/a>5.00E+3n/an/an/an/an/an/a



NAEJA Pharmaceutical Inc.



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which i...


Bioorg Med Chem Lett 15: 3881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6352
PNG
(2-Aminoquinazoline 31 | 8-cyclopentyl-5-methyl-2-{...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C23H28N6O/c1-16-14-21(30)29(19-4-2-3-5-19)22-20(16)15-25-23(27-22)26-17-6-8-18(9-7-17)28-12-10-24-11-13-28/h6-9,14-15,19,24H,2-5,10-13H2,1H3,(H,25,26,27)
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n/an/a 14n/an/an/an/an/an/a



NAEJA Pharmaceutical Inc.



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


Bioorg Med Chem Lett 15: 3881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6359
PNG
(8-Cyclopentyl-5-methyl-2-[4-(4-methyl-piperazin-1-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C24H30N6O/c1-17-15-22(31)30(20-5-3-4-6-20)23-21(17)16-25-24(27-23)26-18-7-9-19(10-8-18)29-13-11-28(2)12-14-29/h7-10,15-16,20H,3-6,11-14H2,1-2H3,(H,25,26,27)
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n/an/a 18n/an/an/an/a7.425



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6352
PNG
(2-Aminoquinazoline 31 | 8-cyclopentyl-5-methyl-2-{...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C23H28N6O/c1-16-14-21(30)29(19-4-2-3-5-19)22-20(16)15-25-23(27-22)26-17-6-8-18(9-7-17)28-12-10-24-11-13-28/h6-9,14-15,19,24H,2-5,10-13H2,1H3,(H,25,26,27)
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n/an/a 14n/an/an/an/a7.425



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6364
PNG
(8-Cyclopentyl-5-ethyl-2-(4-piperazin-1-yl-phenylam...)
Show SMILES CCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C24H30N6O/c1-2-17-15-22(31)30(20-5-3-4-6-20)23-21(17)16-26-24(28-23)27-18-7-9-19(10-8-18)29-13-11-25-12-14-29/h7-10,15-16,20,25H,2-6,11-14H2,1H3,(H,26,27,28)
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n/an/a 655n/an/an/an/a7.425



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6368
PNG
(4-[4-(8-Cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyr...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCN(CC3)C=O)ncc12
Show InChI InChI=1S/C24H28N6O2/c1-17-14-22(32)30(20-4-2-3-5-20)23-21(17)15-25-24(27-23)26-18-6-8-19(9-7-18)29-12-10-28(16-31)11-13-29/h6-9,14-16,20H,2-5,10-13H2,1H3,(H,25,26,27)
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n/an/a 161n/an/an/an/a7.425



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6369
PNG
(2-[4-(4-Acetyl-piperazin-1-yl)-phenylamino]-8-cycl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C25H30N6O2/c1-17-15-23(33)31(21-5-3-4-6-21)24-22(17)16-26-25(28-24)27-19-7-9-20(10-8-19)30-13-11-29(12-14-30)18(2)32/h7-10,15-16,21H,3-6,11-14H2,1-2H3,(H,26,27,28)
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n/an/a 103n/an/an/an/a7.425



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6373
PNG
(8-Cyclopentyl-2-(4-[1,4]diazepan-1-yl-phenylamino)...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCCNCC3)ncc12
Show InChI InChI=1S/C24H30N6O/c1-17-15-22(31)30(20-5-2-3-6-20)23-21(17)16-26-24(28-23)27-18-7-9-19(10-8-18)29-13-4-11-25-12-14-29/h7-10,15-16,20,25H,2-6,11-14H2,1H3,(H,26,27,28)
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n/an/a 52n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6374
PNG
(8-Cyclopentyl-2-{4-[4-(2-hydroxy-ethyl)-piperazin-...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCN(CCO)CC3)ncc12
Show InChI InChI=1S/C25H32N6O2/c1-18-16-23(33)31(21-4-2-3-5-21)24-22(18)17-26-25(28-24)27-19-6-8-20(9-7-19)30-12-10-29(11-13-30)14-15-32/h6-9,16-17,21,32H,2-5,10-15H2,1H3,(H,26,27,28)
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n/an/a 35n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6375
PNG
(8-Cyclopentyl-2-[4-(3,5-dimethyl-piperazin-1-yl)-p...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1ccc(Nc2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1/C25H32N6O/c1-16-12-23(32)31(21-6-4-5-7-21)24-22(16)13-26-25(29-24)28-19-8-10-20(11-9-19)30-14-17(2)27-18(3)15-30/h8-13,17-18,21,27H,4-7,14-15H2,1-3H3,(H,26,28,29)/t17-,18+
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n/an/a 240n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6376
PNG
(8-Cyclopentyl-2-[4-(3,3-dimethyl-piperazin-1-yl)-p...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNC(C)(C)C3)ncc12
Show InChI InChI=1S/C25H32N6O/c1-17-14-22(32)31(20-6-4-5-7-20)23-21(17)15-26-24(29-23)28-18-8-10-19(11-9-18)30-13-12-27-25(2,3)16-30/h8-11,14-15,20,27H,4-7,12-13,16H2,1-3H3,(H,26,28,29)
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n/an/a 65n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6378
PNG
(8-Cyclopentyl-5,6-dimethyl-2-(4-piperazin-1-yl-phe...)
Show SMILES Cc1c(C)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C24H30N6O/c1-16-17(2)23(31)30(20-5-3-4-6-20)22-21(16)15-26-24(28-22)27-18-7-9-19(10-8-18)29-13-11-25-12-14-29/h7-10,15,20,25H,3-6,11-14H2,1-2H3,(H,26,27,28)
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n/an/a 165n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6302
PNG
(8-cyclopentyl-6-acetyl-5-methyl-2-{[4-(piperazin-1...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H30N6O2/c1-16-21-15-27-25(28-18-7-9-19(10-8-18)30-13-11-26-12-14-30)29-23(21)31(20-5-3-4-6-20)24(33)22(16)17(2)32/h7-10,15,20,26H,3-6,11-14H2,1-2H3,(H,27,28,29)
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n/an/a 2n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6385
PNG
(8-Cyclopentyl-5-methyl-7-oxo-2-(4-piperazin-1-yl-p...)
Show SMILES Cc1c(C(O)=O)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C24H28N6O3/c1-15-19-14-26-24(27-16-6-8-17(9-7-16)29-12-10-25-11-13-29)28-21(19)30(18-4-2-3-5-18)22(31)20(15)23(32)33/h6-9,14,18,25H,2-5,10-13H2,1H3,(H,32,33)(H,26,27,28)
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n/an/a 32n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6359
PNG
(8-Cyclopentyl-5-methyl-2-[4-(4-methyl-piperazin-1-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C24H30N6O/c1-17-15-22(31)30(20-5-3-4-6-20)23-21(17)16-25-24(27-23)26-18-7-9-19(10-8-18)29-13-11-28(2)12-14-29/h7-10,15-16,20H,3-6,11-14H2,1-2H3,(H,25,26,27)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6352
PNG
(2-Aminoquinazoline 31 | 8-cyclopentyl-5-methyl-2-{...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C23H28N6O/c1-16-14-21(30)29(19-4-2-3-5-19)22-20(16)15-25-23(27-22)26-17-6-8-18(9-7-17)28-12-10-24-11-13-28/h6-9,14-15,19,24H,2-5,10-13H2,1H3,(H,25,26,27)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6364
PNG
(8-Cyclopentyl-5-ethyl-2-(4-piperazin-1-yl-phenylam...)
Show SMILES CCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C24H30N6O/c1-2-17-15-22(31)30(20-5-3-4-6-20)23-21(17)16-26-24(28-23)27-18-7-9-19(10-8-18)29-13-11-25-12-14-29/h7-10,15-16,20,25H,2-6,11-14H2,1H3,(H,26,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6368
PNG
(4-[4-(8-Cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyr...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCN(CC3)C=O)ncc12
Show InChI InChI=1S/C24H28N6O2/c1-17-14-22(32)30(20-4-2-3-5-20)23-21(17)15-25-24(27-23)26-18-6-8-19(9-7-18)29-12-10-28(16-31)11-13-29/h6-9,14-16,20H,2-5,10-13H2,1H3,(H,25,26,27)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6369
PNG
(2-[4-(4-Acetyl-piperazin-1-yl)-phenylamino]-8-cycl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C25H30N6O2/c1-17-15-23(33)31(21-5-3-4-6-21)24-22(17)16-26-25(28-24)27-19-7-9-20(10-8-19)30-13-11-29(12-14-30)18(2)32/h7-10,15-16,21H,3-6,11-14H2,1-2H3,(H,26,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6373
PNG
(8-Cyclopentyl-2-(4-[1,4]diazepan-1-yl-phenylamino)...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCCNCC3)ncc12
Show InChI InChI=1S/C24H30N6O/c1-17-15-22(31)30(20-5-2-3-6-20)23-21(17)16-26-24(28-23)27-18-7-9-19(10-8-18)29-13-4-11-25-12-14-29/h7-10,15-16,20,25H,2-6,11-14H2,1H3,(H,26,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6374
PNG
(8-Cyclopentyl-2-{4-[4-(2-hydroxy-ethyl)-piperazin-...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCN(CCO)CC3)ncc12
Show InChI InChI=1S/C25H32N6O2/c1-18-16-23(33)31(21-4-2-3-5-21)24-22(18)17-26-25(28-24)27-19-6-8-20(9-7-19)30-12-10-29(11-13-30)14-15-32/h6-9,16-17,21,32H,2-5,10-15H2,1H3,(H,26,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6375
PNG
(8-Cyclopentyl-2-[4-(3,5-dimethyl-piperazin-1-yl)-p...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1ccc(Nc2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1/C25H32N6O/c1-16-12-23(32)31(21-6-4-5-7-21)24-22(16)13-26-25(29-24)28-19-8-10-20(11-9-19)30-14-17(2)27-18(3)15-30/h8-13,17-18,21,27H,4-7,14-15H2,1-3H3,(H,26,28,29)/t17-,18+
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6376
PNG
(8-Cyclopentyl-2-[4-(3,3-dimethyl-piperazin-1-yl)-p...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNC(C)(C)C3)ncc12
Show InChI InChI=1S/C25H32N6O/c1-17-14-22(32)31(20-6-4-5-7-20)23-21(17)15-26-24(29-23)28-18-8-10-19(11-9-18)30-13-12-27-25(2,3)16-30/h8-11,14-15,20,27H,4-7,12-13,16H2,1-3H3,(H,26,28,29)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6378
PNG
(8-Cyclopentyl-5,6-dimethyl-2-(4-piperazin-1-yl-phe...)
Show SMILES Cc1c(C)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C24H30N6O/c1-16-17(2)23(31)30(20-5-3-4-6-20)22-21(16)15-26-24(28-22)27-18-7-9-19(10-8-18)29-13-11-25-12-14-29/h7-10,15,20,25H,3-6,11-14H2,1-2H3,(H,26,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6385
PNG
(8-Cyclopentyl-5-methyl-7-oxo-2-(4-piperazin-1-yl-p...)
Show SMILES Cc1c(C(O)=O)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C24H28N6O3/c1-15-19-14-26-24(27-16-6-8-17(9-7-16)29-12-10-25-11-13-29)28-21(19)30(18-4-2-3-5-18)22(31)20(15)23(32)33/h6-9,14,18,25H,2-5,10-13H2,1H3,(H,32,33)(H,26,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM6359
PNG
(8-Cyclopentyl-5-methyl-2-[4-(4-methyl-piperazin-1-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C24H30N6O/c1-17-15-22(31)30(20-5-3-4-6-20)23-21(17)16-25-24(27-23)26-18-7-9-19(10-8-18)29-13-11-28(2)12-14-29/h7-10,15-16,20H,3-6,11-14H2,1-2H3,(H,25,26,27)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM6352
PNG
(2-Aminoquinazoline 31 | 8-cyclopentyl-5-methyl-2-{...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C23H28N6O/c1-16-14-21(30)29(19-4-2-3-5-19)22-20(16)15-25-23(27-22)26-17-6-8-18(9-7-17)28-12-10-24-11-13-28/h6-9,14-15,19,24H,2-5,10-13H2,1H3,(H,25,26,27)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM6364
PNG
(8-Cyclopentyl-5-ethyl-2-(4-piperazin-1-yl-phenylam...)
Show SMILES CCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C24H30N6O/c1-2-17-15-22(31)30(20-5-3-4-6-20)23-21(17)16-26-24(28-23)27-18-7-9-19(10-8-18)29-13-11-25-12-14-29/h7-10,15-16,20,25H,2-6,11-14H2,1H3,(H,26,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM6368
PNG
(4-[4-(8-Cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyr...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCN(CC3)C=O)ncc12
Show InChI InChI=1S/C24H28N6O2/c1-17-14-22(32)30(20-4-2-3-5-20)23-21(17)15-25-24(27-23)26-18-6-8-19(9-7-18)29-12-10-28(16-31)11-13-29/h6-9,14-16,20H,2-5,10-13H2,1H3,(H,25,26,27)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM6369
PNG
(2-[4-(4-Acetyl-piperazin-1-yl)-phenylamino]-8-cycl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C25H30N6O2/c1-17-15-23(33)31(21-5-3-4-6-21)24-22(17)16-26-25(28-24)27-19-7-9-20(10-8-19)30-13-11-29(12-14-30)18(2)32/h7-10,15-16,21H,3-6,11-14H2,1-2H3,(H,26,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM6373
PNG
(8-Cyclopentyl-2-(4-[1,4]diazepan-1-yl-phenylamino)...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCCNCC3)ncc12
Show InChI InChI=1S/C24H30N6O/c1-17-15-22(31)30(20-5-2-3-6-20)23-21(17)16-26-24(28-23)27-18-7-9-19(10-8-18)29-13-4-11-25-12-14-29/h7-10,15-16,20,25H,2-6,11-14H2,1H3,(H,26,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM6374
PNG
(8-Cyclopentyl-2-{4-[4-(2-hydroxy-ethyl)-piperazin-...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCN(CCO)CC3)ncc12
Show InChI InChI=1S/C25H32N6O2/c1-18-16-23(33)31(21-4-2-3-5-21)24-22(18)17-26-25(28-24)27-19-6-8-20(9-7-19)30-12-10-29(11-13-30)14-15-32/h6-9,16-17,21,32H,2-5,10-15H2,1H3,(H,26,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM6375
PNG
(8-Cyclopentyl-2-[4-(3,5-dimethyl-piperazin-1-yl)-p...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1ccc(Nc2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1/C25H32N6O/c1-16-12-23(32)31(21-6-4-5-7-21)24-22(16)13-26-25(29-24)28-19-8-10-20(11-9-19)30-14-17(2)27-18(3)15-30/h8-13,17-18,21,27H,4-7,14-15H2,1-3H3,(H,26,28,29)/t17-,18+
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM6376
PNG
(8-Cyclopentyl-2-[4-(3,3-dimethyl-piperazin-1-yl)-p...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNC(C)(C)C3)ncc12
Show InChI InChI=1S/C25H32N6O/c1-17-14-22(32)31(20-6-4-5-7-20)23-21(17)15-26-24(29-23)28-18-8-10-19(11-9-18)30-13-12-27-25(2,3)16-30/h8-11,14-15,20,27H,4-7,12-13,16H2,1-3H3,(H,26,28,29)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM6302
PNG
(8-cyclopentyl-6-acetyl-5-methyl-2-{[4-(piperazin-1...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H30N6O2/c1-16-21-15-27-25(28-18-7-9-19(10-8-18)30-13-11-26-12-14-30)29-23(21)31(20-5-3-4-6-20)24(33)22(16)17(2)32/h7-10,15,20,26H,3-6,11-14H2,1-2H3,(H,27,28,29)
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n/an/a 230n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM6385
PNG
(8-Cyclopentyl-5-methyl-7-oxo-2-(4-piperazin-1-yl-p...)
Show SMILES Cc1c(C(O)=O)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C24H28N6O3/c1-15-19-14-26-24(27-16-6-8-17(9-7-16)29-12-10-25-11-13-29)28-21(19)30(18-4-2-3-5-18)22(31)20(15)23(32)33/h6-9,14,18,25H,2-5,10-13H2,1H3,(H,32,33)(H,26,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM6359
PNG
(8-Cyclopentyl-5-methyl-2-[4-(4-methyl-piperazin-1-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C24H30N6O/c1-17-15-22(31)30(20-5-3-4-6-20)23-21(17)16-25-24(27-23)26-18-7-9-19(10-8-18)29-13-11-28(2)12-14-29/h7-10,15-16,20H,3-6,11-14H2,1-2H3,(H,25,26,27)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM6352
PNG
(2-Aminoquinazoline 31 | 8-cyclopentyl-5-methyl-2-{...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C23H28N6O/c1-16-14-21(30)29(19-4-2-3-5-19)22-20(16)15-25-23(27-22)26-17-6-8-18(9-7-17)28-12-10-24-11-13-28/h6-9,14-15,19,24H,2-5,10-13H2,1H3,(H,25,26,27)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM6364
PNG
(8-Cyclopentyl-5-ethyl-2-(4-piperazin-1-yl-phenylam...)
Show SMILES CCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C24H30N6O/c1-2-17-15-22(31)30(20-5-3-4-6-20)23-21(17)16-26-24(28-23)27-18-7-9-19(10-8-18)29-13-11-25-12-14-29/h7-10,15-16,20,25H,2-6,11-14H2,1H3,(H,26,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM6368
PNG
(4-[4-(8-Cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyr...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCN(CC3)C=O)ncc12
Show InChI InChI=1S/C24H28N6O2/c1-17-14-22(32)30(20-4-2-3-5-20)23-21(17)15-25-24(27-23)26-18-6-8-19(9-7-18)29-12-10-28(16-31)11-13-29/h6-9,14-16,20H,2-5,10-13H2,1H3,(H,25,26,27)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
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