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31 similar compounds to monomer 6358

Compile data set for download or QSAR
Wt: 404.5
BDBM6352
Wt: 391.4
BDBM6355
Wt: 389.4
BDBM6356
Wt: 418.5
BDBM6359
Wt: 418.5
BDBM6364
Wt: 458.4
BDBM6365
Wt: 406.5
BDBM6367
Wt: 432.5
BDBM6368
Wt: 446.5
BDBM6369
Wt: 404.5
BDBM6372
Wt: 418.5
BDBM6373
Wt: 448.5
BDBM6374
Wt: 432.5
BDBM6375
Wt: 432.5
BDBM6376
Wt: 438.9
BDBM6377
Displayed 1 to 15 (of 31 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 65 hits for monomerid = 6352,6355,6356,6359,6364,6365,6367,6368,6369,6372,6373,6374,6375,6376,6377   
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 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))
BDBM6355
PNG
(8-Cyclopentyl-2-(4-morpholin-4-yl-phenylamino)-8H-...)
Show SMILES O=c1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C22H25N5O2/c28-20-10-5-16-15-23-22(25-21(16)27(20)19-3-1-2-4-19)24-17-6-8-18(9-7-17)26-11-13-29-14-12-26/h5-10,15,19H,1-4,11-14H2,(H,23,24,25)
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n/an/a 10n/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))
BDBM6356
PNG
(8-Cyclopentyl-2-(4-piperidin-1-yl-phenylamino)-8H-...)
Show SMILES O=c1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H27N5O/c29-21-13-8-17-16-24-23(26-22(17)28(21)20-6-2-3-7-20)25-18-9-11-19(12-10-18)27-14-4-1-5-15-27/h8-13,16,20H,1-7,14-15H2,(H,24,25,26)
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n/an/a 10n/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))
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))
BDBM6365
PNG
(8-Cyclopentyl-2-(4-piperazin-1-yl-phenylamino)-5-t...)
Show SMILES FC(F)(F)c1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C23H25F3N6O/c24-23(25,26)19-13-20(33)32(17-3-1-2-4-17)21-18(19)14-28-22(30-21)29-15-5-7-16(8-6-15)31-11-9-27-10-12-31/h5-8,13-14,17,27H,1-4,9-12H2,(H,28,29,30)
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n/an/a 2.65E+3n/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))
BDBM6367
PNG
(5-methyl-8-(3-methylbutyl)-2-{[4-(piperazin-1-yl)p...)
Show SMILES CC(C)CCn1c2nc(Nc3ccc(cc3)N3CCNCC3)ncc2c(C)cc1=O
Show InChI InChI=1S/C23H30N6O/c1-16(2)8-11-29-21(30)14-17(3)20-15-25-23(27-22(20)29)26-18-4-6-19(7-5-18)28-12-9-24-10-13-28/h4-7,14-16,24H,8-13H2,1-3H3,(H,25,26,27)
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n/an/a 1.08E+3n/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))
BDBM6372
PNG
(2-[4-(3-Amino-pyrrolidin-1-yl)-phenylamino]-8-cycl...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCC(N)C3)ncc12
Show InChI InChI=1/C23H28N6O/c1-15-12-21(30)29(19-4-2-3-5-19)22-20(15)13-25-23(27-22)26-17-6-8-18(9-7-17)28-11-10-16(24)14-28/h6-9,12-13,16,19H,2-5,10-11,14,24H2,1H3,(H,25,26,27)
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n/an/a 64n/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))
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))
BDBM6377
PNG
(2-(3-Chloro-4-piperazin-1-yl-phenylamino)-8-cyclop...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)c(Cl)c3)ncc12
Show InChI InChI=1S/C23H27ClN6O/c1-15-12-21(31)30(17-4-2-3-5-17)22-18(15)14-26-23(28-22)27-16-6-7-20(19(24)13-16)29-10-8-25-9-11-29/h6-7,12-14,17,25H,2-5,8-11H2,1H3,(H,26,27,28)
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n/an/a 28n/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))
BDBM6355
PNG
(8-Cyclopentyl-2-(4-morpholin-4-yl-phenylamino)-8H-...)
Show SMILES O=c1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C22H25N5O2/c28-20-10-5-16-15-23-22(25-21(16)27(20)19-3-1-2-4-19)24-17-6-8-18(9-7-17)26-11-13-29-14-12-26/h5-10,15,19H,1-4,11-14H2,(H,23,24,25)
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n/an/a 275n/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))
BDBM6356
PNG
(8-Cyclopentyl-2-(4-piperidin-1-yl-phenylamino)-8H-...)
Show SMILES O=c1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H27N5O/c29-21-13-8-17-16-24-23(26-22(17)28(21)20-6-2-3-7-20)25-18-9-11-19(12-10-18)27-14-4-1-5-15-27/h8-13,16,20H,1-7,14-15H2,(H,24,25,26)
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n/an/a 570n/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))
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))
BDBM6365
PNG
(8-Cyclopentyl-2-(4-piperazin-1-yl-phenylamino)-5-t...)
Show SMILES FC(F)(F)c1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C23H25F3N6O/c24-23(25,26)19-13-20(33)32(17-3-1-2-4-17)21-18(19)14-28-22(30-21)29-15-5-7-16(8-6-15)31-11-9-27-10-12-31/h5-8,13-14,17,27H,1-4,9-12H2,(H,28,29,30)
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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))
BDBM6367
PNG
(5-methyl-8-(3-methylbutyl)-2-{[4-(piperazin-1-yl)p...)
Show SMILES CC(C)CCn1c2nc(Nc3ccc(cc3)N3CCNCC3)ncc2c(C)cc1=O
Show InChI InChI=1S/C23H30N6O/c1-16(2)8-11-29-21(30)14-17(3)20-15-25-23(27-22(20)29)26-18-4-6-19(7-5-18)28-12-9-24-10-13-28/h4-7,14-16,24H,8-13H2,1-3H3,(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))
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))
BDBM6372
PNG
(2-[4-(3-Amino-pyrrolidin-1-yl)-phenylamino]-8-cycl...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCC(N)C3)ncc12
Show InChI InChI=1/C23H28N6O/c1-15-12-21(30)29(19-4-2-3-5-19)22-20(15)13-25-23(27-22)26-17-6-8-18(9-7-17)28-11-10-16(24)14-28/h6-9,12-13,16,19H,2-5,10-11,14,24H2,1H3,(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))
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))
BDBM6377
PNG
(2-(3-Chloro-4-piperazin-1-yl-phenylamino)-8-cyclop...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)c(Cl)c3)ncc12
Show InChI InChI=1S/C23H27ClN6O/c1-15-12-21(31)30(17-4-2-3-5-17)22-18(15)14-26-23(28-22)27-16-6-7-20(19(24)13-16)29-10-8-25-9-11-29/h6-7,12-14,17,25H,2-5,8-11H2,1H3,(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))
BDBM6355
PNG
(8-Cyclopentyl-2-(4-morpholin-4-yl-phenylamino)-8H-...)
Show SMILES O=c1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C22H25N5O2/c28-20-10-5-16-15-23-22(25-21(16)27(20)19-3-1-2-4-19)24-17-6-8-18(9-7-17)26-11-13-29-14-12-26/h5-10,15,19H,1-4,11-14H2,(H,23,24,25)
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n/an/a 28n/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))
BDBM6356
PNG
(8-Cyclopentyl-2-(4-piperidin-1-yl-phenylamino)-8H-...)
Show SMILES O=c1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H27N5O/c29-21-13-8-17-16-24-23(26-22(17)28(21)20-6-2-3-7-20)25-18-9-11-19(12-10-18)27-14-4-1-5-15-27/h8-13,16,20H,1-7,14-15H2,(H,24,25,26)
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n/an/a 660n/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))
BDBM6365
PNG
(8-Cyclopentyl-2-(4-piperazin-1-yl-phenylamino)-5-t...)
Show SMILES FC(F)(F)c1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C23H25F3N6O/c24-23(25,26)19-13-20(33)32(17-3-1-2-4-17)21-18(19)14-28-22(30-21)29-15-5-7-16(8-6-15)31-11-9-27-10-12-31/h5-8,13-14,17,27H,1-4,9-12H2,(H,28,29,30)
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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))
BDBM6367
PNG
(5-methyl-8-(3-methylbutyl)-2-{[4-(piperazin-1-yl)p...)
Show SMILES CC(C)CCn1c2nc(Nc3ccc(cc3)N3CCNCC3)ncc2c(C)cc1=O
Show InChI InChI=1S/C23H30N6O/c1-16(2)8-11-29-21(30)14-17(3)20-15-25-23(27-22(20)29)26-18-4-6-19(7-5-18)28-12-9-24-10-13-28/h4-7,14-16,24H,8-13H2,1-3H3,(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))
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))
BDBM6372
PNG
(2-[4-(3-Amino-pyrrolidin-1-yl)-phenylamino]-8-cycl...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCC(N)C3)ncc12
Show InChI InChI=1/C23H28N6O/c1-15-12-21(30)29(19-4-2-3-5-19)22-20(15)13-25-23(27-22)26-17-6-8-18(9-7-17)28-11-10-16(24)14-28/h6-9,12-13,16,19H,2-5,10-11,14,24H2,1H3,(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))
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))
BDBM6377
PNG
(2-(3-Chloro-4-piperazin-1-yl-phenylamino)-8-cyclop...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)c(Cl)c3)ncc12
Show InChI InChI=1S/C23H27ClN6O/c1-15-12-21(31)30(17-4-2-3-5-17)22-18(15)14-26-23(28-22)27-16-6-7-20(19(24)13-16)29-10-8-25-9-11-29/h6-7,12-14,17,25H,2-5,8-11H2,1H3,(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))
BDBM6355
PNG
(8-Cyclopentyl-2-(4-morpholin-4-yl-phenylamino)-8H-...)
Show SMILES O=c1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C22H25N5O2/c28-20-10-5-16-15-23-22(25-21(16)27(20)19-3-1-2-4-19)24-17-6-8-18(9-7-17)26-11-13-29-14-12-26/h5-10,15,19H,1-4,11-14H2,(H,23,24,25)
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n/an/a 85n/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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