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20 similar compounds to monomer 6309

Compile data set for download or QSAR
Wt: 477.5
BDBM6310
Wt: 494.5
BDBM6318
Wt: 475.5
BDBM6319
Wt: 475.5
BDBM6320
Wt: 461.5
BDBM6321
Wt: 447.5
BDBM6322
Wt: 461.5
BDBM6323
Wt: 446.5
BDBM6324
Wt: 462.5
BDBM6325
Wt: 448.5
BDBM6326
Wt: 476.5
BDBM6327
Wt: 432.5
BDBM6379
Wt: 405.4
BDBM6290
Wt: 419.5
BDBM6291
Wt: 421.4
BDBM6292
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 6310,6318,6319,6320,6321,6322,6323,6324,6325,6326,6327,6379,6290,6291,6292   
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))
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
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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6292
PNG
(8-Cyclopentyl-6-hydroxymethyl-2-(5-piperazin-1-ylp...)
Show SMILES OCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C22H27N7O2/c30-14-16-11-15-12-25-22(27-20(15)29(21(16)31)17-3-1-2-4-17)26-19-6-5-18(13-24-19)28-9-7-23-8-10-28/h5-6,11-13,17,23,30H,1-4,7-10,14H2,(H,24,25,26,27)
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n/an/a 13n/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 4 (CDK4)


(Homo sapiens (Human))
BDBM6310
PNG
(8-Cyclopentyl-5-methyl-7-oxo-2-(5-piperazin-1-yl-p...)
Show SMILES CCOC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H31N7O3/c1-3-35-24(34)21-16(2)19-15-28-25(30-22(19)32(23(21)33)17-6-4-5-7-17)29-20-9-8-18(14-27-20)31-12-10-26-11-13-31/h8-9,14-15,17,26H,3-7,10-13H2,1-2H3,(H,27,28,29,30)
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n/an/a 49n/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))
BDBM6318
PNG
(2-({5-[bis(2-methoxyethyl)amino]pyridin-2-yl}amino...)
Show SMILES COCCN(CCOC)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C26H34N6O4/c1-17-21-16-28-26(29-22-10-9-20(15-27-22)31(11-13-35-3)12-14-36-4)30-24(21)32(19-7-5-6-8-19)25(34)23(17)18(2)33/h9-10,15-16,19H,5-8,11-14H2,1-4H3,(H,27,28,29,30)
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n/an/a 51n/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))
BDBM6319
PNG
(6-Acetyl-8-cyclopentyl-2-[5-(3,3-dimethyl-piperazi...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNC(C)(C)C3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C26H33N7O2/c1-16-20-14-28-25(30-21-10-9-19(13-27-21)32-12-11-29-26(3,4)15-32)31-23(20)33(18-7-5-6-8-18)24(35)22(16)17(2)34/h9-10,13-14,18,29H,5-8,11-12,15H2,1-4H3,(H,27,28,30,31)
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n/an/a 21n/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))
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 4 (CDK4)


(Homo sapiens (Human))
BDBM6322
PNG
(2-{[5-(3-aminopyrrolidin-1-yl)pyridin-2-yl]amino}-...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCC(N)C3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1/C24H29N7O2/c1-14-19-12-27-24(28-20-8-7-18(11-26-20)30-10-9-16(25)13-30)29-22(19)31(17-5-3-4-6-17)23(33)21(14)15(2)32/h7-8,11-12,16-17H,3-6,9-10,13,25H2,1-2H3,(H,26,27,28,29)
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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 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))
BDBM6323
PNG
(6-Acetyl-8-cyclopentyl-2-(5-[1,4]diazepan-1-yl-pyr...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H31N7O2/c1-16-20-15-28-25(29-21-9-8-19(14-27-21)31-12-5-10-26-11-13-31)30-23(20)32(18-6-3-4-7-18)24(34)22(16)17(2)33/h8-9,14-15,18,26H,3-7,10-13H2,1-2H3,(H,27,28,29,30)
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n/an/a 12n/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))
BDBM6324
PNG
(6-Acetyl-8-cyclopentyl-5-methyl-2-(3,4,5,6-tetrahy...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCCCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H30N6O2/c1-16-20-15-27-25(28-21-11-10-19(14-26-21)30-12-6-3-7-13-30)29-23(20)31(18-8-4-5-9-18)24(33)22(16)17(2)32/h10-11,14-15,18H,3-9,12-13H2,1-2H3,(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 4 (CDK4)


(Homo sapiens (Human))
BDBM6325
PNG
(6-Acetyl-8-cyclopentyl-2-(4-hydroxy-3,4,5,6-tetrah...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCC(O)CC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H30N6O3/c1-15-20-14-27-25(28-21-8-7-18(13-26-21)30-11-9-19(33)10-12-30)29-23(20)31(17-5-3-4-6-17)24(34)22(15)16(2)32/h7-8,13-14,17,19,33H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
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n/an/a 19n/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))
BDBM6326
PNG
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-morpholin-4-y...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCOCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H28N6O3/c1-15-19-14-26-24(27-20-8-7-18(13-25-20)29-9-11-33-12-10-29)28-22(19)30(17-5-3-4-6-17)23(32)21(15)16(2)31/h7-8,13-14,17H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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n/an/a 4n/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))
BDBM6327
PNG
(6-Acetyl-8-cyclopentyl-2-[5-(2,6-dimethyl-morpholi...)
Show SMILES CC1CN(CC(C)O1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
Show InChI InChI=1/C26H32N6O3/c1-15-13-31(14-16(2)35-15)20-9-10-22(27-11-20)29-26-28-12-21-17(3)23(18(4)33)25(34)32(24(21)30-26)19-7-5-6-8-19/h9-12,15-16,19H,5-8,13-14H2,1-4H3,(H,27,28,29,30)
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n/an/a 30n/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))
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 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))
BDBM6292
PNG
(8-Cyclopentyl-6-hydroxymethyl-2-(5-piperazin-1-ylp...)
Show SMILES OCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C22H27N7O2/c30-14-16-11-15-12-25-22(27-20(15)29(21(16)31)17-3-1-2-4-17)26-19-6-5-18(13-24-19)28-9-7-23-8-10-28/h5-6,11-13,17,23,30H,1-4,7-10,14H2,(H,24,25,26,27)
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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: 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))
BDBM6310
PNG
(8-Cyclopentyl-5-methyl-7-oxo-2-(5-piperazin-1-yl-p...)
Show SMILES CCOC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H31N7O3/c1-3-35-24(34)21-16(2)19-15-28-25(30-22(19)32(23(21)33)17-6-4-5-7-17)29-20-9-8-18(14-27-20)31-12-10-26-11-13-31/h8-9,14-15,17,26H,3-7,10-13H2,1-2H3,(H,27,28,29,30)
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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: 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))
BDBM6318
PNG
(2-({5-[bis(2-methoxyethyl)amino]pyridin-2-yl}amino...)
Show SMILES COCCN(CCOC)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C26H34N6O4/c1-17-21-16-28-26(29-22-10-9-20(15-27-22)31(11-13-35-3)12-14-36-4)30-24(21)32(19-7-5-6-8-19)25(34)23(17)18(2)33/h9-10,15-16,19H,5-8,11-14H2,1-4H3,(H,27,28,29,30)
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n/an/a 2.05E+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 2 (CDK2)


(Homo sapiens (Human))
BDBM6319
PNG
(6-Acetyl-8-cyclopentyl-2-[5-(3,3-dimethyl-piperazi...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNC(C)(C)C3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C26H33N7O2/c1-16-20-14-28-25(30-21-10-9-19(13-27-21)32-12-11-29-26(3,4)15-32)31-23(20)33(18-7-5-6-8-18)24(35)22(16)17(2)34/h9-10,13-14,18,29H,5-8,11-12,15H2,1-4H3,(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))
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 2 (CDK2)


(Homo sapiens (Human))
BDBM6322
PNG
(2-{[5-(3-aminopyrrolidin-1-yl)pyridin-2-yl]amino}-...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCC(N)C3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1/C24H29N7O2/c1-14-19-12-27-24(28-20-8-7-18(11-26-20)30-10-9-16(25)13-30)29-22(19)31(17-5-3-4-6-17)23(33)21(14)15(2)32/h7-8,11-12,16-17H,3-6,9-10,13,25H2,1-2H3,(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 2 (CDK2)


(Homo sapiens (Human))
BDBM6323
PNG
(6-Acetyl-8-cyclopentyl-2-(5-[1,4]diazepan-1-yl-pyr...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H31N7O2/c1-16-20-15-28-25(29-21-9-8-19(14-27-21)31-12-5-10-26-11-13-31)30-23(20)32(18-6-3-4-7-18)24(34)22(16)17(2)33/h8-9,14-15,18,26H,3-7,10-13H2,1-2H3,(H,27,28,29,30)
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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: 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))
BDBM6324
PNG
(6-Acetyl-8-cyclopentyl-5-methyl-2-(3,4,5,6-tetrahy...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCCCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H30N6O2/c1-16-20-15-27-25(28-21-11-10-19(14-26-21)30-12-6-3-7-13-30)29-23(20)31(18-8-4-5-9-18)24(33)22(16)17(2)32/h10-11,14-15,18H,3-9,12-13H2,1-2H3,(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 2 (CDK2)


(Homo sapiens (Human))
BDBM6325
PNG
(6-Acetyl-8-cyclopentyl-2-(4-hydroxy-3,4,5,6-tetrah...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCC(O)CC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H30N6O3/c1-15-20-14-27-25(28-21-8-7-18(13-26-21)30-11-9-19(33)10-12-30)29-23(20)31(17-5-3-4-6-17)24(34)22(15)16(2)32/h7-8,13-14,17,19,33H,3-6,9-12H2,1-2H3,(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 2 (CDK2)


(Homo sapiens (Human))
BDBM6326
PNG
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-morpholin-4-y...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCOCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H28N6O3/c1-15-19-14-26-24(27-20-8-7-18(13-25-20)29-9-11-33-12-10-29)28-22(19)30(17-5-3-4-6-17)23(32)21(15)16(2)31/h7-8,13-14,17H,3-6,9-12H2,1-2H3,(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))
BDBM6327
PNG
(6-Acetyl-8-cyclopentyl-2-[5-(2,6-dimethyl-morpholi...)
Show SMILES CC1CN(CC(C)O1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
Show InChI InChI=1/C26H32N6O3/c1-15-13-31(14-16(2)35-15)20-9-10-22(27-11-20)29-26-28-12-21-17(3)23(18(4)33)25(34)32(24(21)30-26)19-7-5-6-8-19/h9-12,15-16,19H,5-8,13-14H2,1-4H3,(H,27,28,29,30)
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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: 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))
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))
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))
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
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