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6 similar compounds to monomer 50447512

Compile data set for download or QSAR
Wt: 390.4
BDBM6358
Wt: 418.5
BDBM6378
Wt: 432.5
BDBM6379
Wt: 404.5
BDBM6276
Wt: 418.5
BDBM6278
Wt: 405.4
BDBM6290

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 6358,6378,6379,6276,6278,6290   
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))
BDBM6276
PNG
(8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C23H28N6O/c1-27-12-14-28(15-13-27)19-9-7-18(8-10-19)25-23-24-16-17-6-11-21(30)29(22(17)26-23)20-4-2-3-5-20/h6-11,16,20H,2-5,12-15H2,1H3,(H,24,25,26)
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n/an/a 9n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 43: 4606-16 (2000)


Article DOI: 10.1021/jm000271k
BindingDB Entry DOI: 10.7270/Q25B00N4
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM6276
PNG
(8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C23H28N6O/c1-27-12-14-28(15-13-27)19-9-7-18(8-10-19)25-23-24-16-17-6-11-21(30)29(22(17)26-23)20-4-2-3-5-20/h6-11,16,20H,2-5,12-15H2,1H3,(H,24,25,26)
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n/an/a 39n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6278
PNG
(8-Cyclohexyl-2-[4-(4-methylpiperazin-1-yl)phenylam...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCCC4)c3n2)cc1
Show InChI InChI=1S/C24H30N6O/c1-28-13-15-29(16-14-28)20-10-8-19(9-11-20)26-24-25-17-18-7-12-22(31)30(23(18)27-24)21-5-3-2-4-6-21/h7-12,17,21H,2-6,13-16H2,1H3,(H,25,26,27)
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n/an/a 79n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 43: 4606-16 (2000)


Article DOI: 10.1021/jm000271k
BindingDB Entry DOI: 10.7270/Q25B00N4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM6278
PNG
(8-Cyclohexyl-2-[4-(4-methylpiperazin-1-yl)phenylam...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCCC4)c3n2)cc1
Show InChI InChI=1S/C24H30N6O/c1-28-13-15-29(16-14-28)20-10-8-19(9-11-20)26-24-25-17-18-7-12-22(31)30(23(18)27-24)21-5-3-2-4-6-21/h7-12,17,21H,2-6,13-16H2,1H3,(H,25,26,27)
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n/an/a 15n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 43: 4606-16 (2000)


Article DOI: 10.1021/jm000271k
BindingDB Entry DOI: 10.7270/Q25B00N4
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM6278
PNG
(8-Cyclohexyl-2-[4-(4-methylpiperazin-1-yl)phenylam...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCCC4)c3n2)cc1
Show InChI InChI=1S/C24H30N6O/c1-28-13-15-29(16-14-28)20-10-8-19(9-11-20)26-24-25-17-18-7-12-22(31)30(23(18)27-24)21-5-3-2-4-6-21/h7-12,17,21H,2-6,13-16H2,1H3,(H,25,26,27)
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n/an/a 20n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 43: 4606-16 (2000)


Article DOI: 10.1021/jm000271k
BindingDB Entry DOI: 10.7270/Q25B00N4
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6278
PNG
(8-Cyclohexyl-2-[4-(4-methylpiperazin-1-yl)phenylam...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCCC4)c3n2)cc1
Show InChI InChI=1S/C24H30N6O/c1-28-13-15-29(16-14-28)20-10-8-19(9-11-20)26-24-25-17-18-7-12-22(31)30(23(18)27-24)21-5-3-2-4-6-21/h7-12,17,21H,2-6,13-16H2,1H3,(H,25,26,27)
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n/an/a 51n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 43: 4606-16 (2000)


Article DOI: 10.1021/jm000271k
BindingDB Entry DOI: 10.7270/Q25B00N4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6290
PNG
(8-Cyclopentyl-6-methyl-2-(5-piperazin-1-yl-pyridin...)
Show SMILES Cc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C22H27N7O/c1-15-12-16-13-25-22(27-20(16)29(21(15)30)17-4-2-3-5-17)26-19-7-6-18(14-24-19)28-10-8-23-9-11-28/h6-7,12-14,17,23H,2-5,8-11H2,1H3,(H,24,25,26,27)
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n/an/a 27n/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 (CDK2)


(Homo sapiens (Human))
BDBM6290
PNG
(8-Cyclopentyl-6-methyl-2-(5-piperazin-1-yl-pyridin...)
Show SMILES Cc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C22H27N7O/c1-15-12-16-13-25-22(27-20(16)29(21(15)30)17-4-2-3-5-17)26-19-7-6-18(14-24-19)28-10-8-23-9-11-28/h6-7,12-14,17,23H,2-5,8-11H2,1H3,(H,24,25,26,27)
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n/an/a 4.05E+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 4 (CDK4)


(Homo sapiens (Human))
BDBM6276
PNG
(8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C23H28N6O/c1-27-12-14-28(15-13-27)19-9-7-18(8-10-19)25-23-24-16-17-6-11-21(30)29(22(17)26-23)20-4-2-3-5-20/h6-11,16,20H,2-5,12-15H2,1H3,(H,24,25,26)
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n/an/a 7n/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))
BDBM6358
PNG
(8-Cyclopentyl-2-(4-piperazin-1-yl-phenylamino)-8H-...)
Show SMILES O=c1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C22H26N6O/c29-20-10-5-16-15-24-22(26-21(16)28(20)19-3-1-2-4-19)25-17-6-8-18(9-7-17)27-13-11-23-12-14-27/h5-10,15,19,23H,1-4,11-14H2,(H,24,25,26)
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n/an/a 6n/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))
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))
BDBM6379
PNG
(8-Cyclopentyl-6-ethyl-5-methyl-2-(4-piperazin-1-yl...)
Show SMILES CCc1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H32N6O/c1-3-21-17(2)22-16-27-25(29-23(22)31(24(21)32)20-6-4-5-7-20)28-18-8-10-19(11-9-18)30-14-12-26-13-15-30/h8-11,16,20,26H,3-7,12-15H2,1-2H3,(H,27,28,29)
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n/an/a 25n/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))
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))
BDBM6379
PNG
(8-Cyclopentyl-6-ethyl-5-methyl-2-(4-piperazin-1-yl...)
Show SMILES CCc1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H32N6O/c1-3-21-17(2)22-16-27-25(29-23(22)31(24(21)32)20-6-4-5-7-20)28-18-8-10-19(11-9-18)30-14-12-26-13-15-30/h8-11,16,20,26H,3-7,12-15H2,1-2H3,(H,27,28,29)
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n/an/a 4.12E+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))
BDBM6276
PNG
(8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C23H28N6O/c1-27-12-14-28(15-13-27)19-9-7-18(8-10-19)25-23-24-16-17-6-11-21(30)29(22(17)26-23)20-4-2-3-5-20/h6-11,16,20H,2-5,12-15H2,1H3,(H,24,25,26)
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n/an/a 14n/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))
BDBM6358
PNG
(8-Cyclopentyl-2-(4-piperazin-1-yl-phenylamino)-8H-...)
Show SMILES O=c1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C22H26N6O/c29-20-10-5-16-15-24-22(26-21(16)28(20)19-3-1-2-4-19)25-17-6-8-18(9-7-17)27-13-11-23-12-14-27/h5-10,15,19,23H,1-4,11-14H2,(H,24,25,26)
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n/an/a 24n/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))
BDBM6379
PNG
(8-Cyclopentyl-6-ethyl-5-methyl-2-(4-piperazin-1-yl...)
Show SMILES CCc1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H32N6O/c1-3-21-17(2)22-16-27-25(29-23(22)31(24(21)32)20-6-4-5-7-20)28-18-8-10-19(11-9-18)30-14-12-26-13-15-30/h8-11,16,20,26H,3-7,12-15H2,1-2H3,(H,27,28,29)
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n/an/a 1.54E+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))
BDBM6276
PNG
(8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C23H28N6O/c1-27-12-14-28(15-13-27)19-9-7-18(8-10-19)25-23-24-16-17-6-11-21(30)29(22(17)26-23)20-4-2-3-5-20/h6-11,16,20H,2-5,12-15H2,1H3,(H,24,25,26)
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n/an/a 39n/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))
BDBM6358
PNG
(8-Cyclopentyl-2-(4-piperazin-1-yl-phenylamino)-8H-...)
Show SMILES O=c1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C22H26N6O/c29-20-10-5-16-15-24-22(26-21(16)28(20)19-3-1-2-4-19)25-17-6-8-18(9-7-17)27-13-11-23-12-14-27/h5-10,15,19,23H,1-4,11-14H2,(H,24,25,26)
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n/an/a 80n/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))
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



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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))
BDBM6379
PNG
(8-Cyclopentyl-6-ethyl-5-methyl-2-(4-piperazin-1-yl...)
Show SMILES CCc1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H32N6O/c1-3-21-17(2)22-16-27-25(29-23(22)31(24(21)32)20-6-4-5-7-20)28-18-8-10-19(11-9-18)30-14-12-26-13-15-30/h8-11,16,20,26H,3-7,12-15H2,1-2H3,(H,27,28,29)
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n/an/a 1.65E+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
p21-Activated kinase 1 (PAK1)


(Homo sapiens (Human))
BDBM6276
PNG
(8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C23H28N6O/c1-27-12-14-28(15-13-27)19-9-7-18(8-10-19)25-23-24-16-17-6-11-21(30)29(22(17)26-23)20-4-2-3-5-20/h6-11,16,20H,2-5,12-15H2,1H3,(H,24,25,26)
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n/an/a 483n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
IC50 values were determined using a 10 concentration point, non-radioactive, functional assay that employs a fluorescence-based, coupled enzyme forma...


J Biol Chem 288: 29105-14 (2013)


Article DOI: 10.1074/jbc.M113.510933
BindingDB Entry DOI: 10.7270/Q2B27T4S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM6276
PNG
(8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C23H28N6O/c1-27-12-14-28(15-13-27)19-9-7-18(8-10-19)25-23-24-16-17-6-11-21(30)29(22(17)26-23)20-4-2-3-5-20/h6-11,16,20H,2-5,12-15H2,1H3,(H,24,25,26)
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n/an/a 580n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
IC50 values were determined using a 10 concentration point, non-radioactive, functional assay that employs a fluorescence-based, coupled enzyme forma...


J Biol Chem 288: 29105-14 (2013)


Article DOI: 10.1074/jbc.M113.510933
BindingDB Entry DOI: 10.7270/Q2B27T4S
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6278
PNG
(8-Cyclohexyl-2-[4-(4-methylpiperazin-1-yl)phenylam...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCCC4)c3n2)cc1
Show InChI InChI=1S/C24H30N6O/c1-28-13-15-29(16-14-28)20-10-8-19(9-11-20)26-24-25-17-18-7-12-22(31)30(23(18)27-24)21-5-3-2-4-6-21/h7-12,17,21H,2-6,13-16H2,1H3,(H,25,26,27)
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n/an/a 4n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 43: 4606-16 (2000)


Article DOI: 10.1021/jm000271k
BindingDB Entry DOI: 10.7270/Q25B00N4
More data for this
Ligand-Target Pair