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PubMed code 15801831

Compile data set for download or QSAR
Found 94 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]


(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: 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/G1/S-specific cyclin-D1 [L188C]


(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/G1/S-specific cyclin-D1 [L188C]


(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/G1/S-specific cyclin-D1 [L188C]


(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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6301
PNG
(6-bromo-8-cyclopentyl-5-methyl-2-{[4-(piperazin-1-...)
Show SMILES Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C23H27BrN6O/c1-15-19-14-26-23(27-16-6-8-17(9-7-16)29-12-10-25-11-13-29)28-21(19)30(22(31)20(15)24)18-4-2-3-5-18/h6-9,14,18,25H,2-5,10-13H2,1H3,(H,26,27,28)
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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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6303
PNG
(Pyrido-[2,3-d]-pyrimidin-7-one 37 | ethyl 8-cyclop...)
Show SMILES CCOC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C26H32N6O3/c1-3-35-25(34)22-17(2)21-16-28-26(30-23(21)32(24(22)33)20-6-4-5-7-20)29-18-8-10-19(11-9-18)31-14-12-27-13-15-31/h8-11,16,20,27H,3-7,12-15H2,1-2H3,(H,28,29,30)
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n/an/a 6n/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6309
PNG
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
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n/an/a 11n/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/G1/S-specific cyclin-D1 [L188C]


(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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6253
PNG
(8-Cyclopentyl-2-phenylamino-8H-pyrido[2,3-d]pyrimi...)
Show SMILES O=c1ccc2cnc(Nc3ccccc3)nc2n1C1CCCC1
Show InChI InChI=1S/C18H18N4O/c23-16-11-10-13-12-19-18(20-14-6-2-1-3-7-14)21-17(13)22(16)15-8-4-5-9-15/h1-3,6-7,10-12,15H,4-5,8-9H2,(H,19,20,21)
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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 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/G1/S-specific cyclin-D1 [L188C]


(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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6293
PNG
(8-Cyclopentyl-6-methoxymethyl-2-(5-piperazin-1-ylp...)
Show SMILES COCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C23H29N7O2/c1-32-15-17-12-16-13-26-23(28-21(16)30(22(17)31)18-4-2-3-5-18)27-20-7-6-19(14-25-20)29-10-8-24-9-11-29/h6-7,12-14,18,24H,2-5,8-11,15H2,1H3,(H,25,26,27,28)
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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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6286
PNG
(8-Cyclohexyl-2-(5-piperazin-1-yl-pyridin-2-ylamino...)
Show SMILES O=c1ccc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCCC1
Show InChI InChI=1S/C22H27N7O/c30-20-9-6-16-14-25-22(27-21(16)29(20)17-4-2-1-3-5-17)26-19-8-7-18(15-24-19)28-12-10-23-11-13-28/h6-9,14-15,17,23H,1-5,10-13H2,(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/G1/S-specific cyclin-D1 [L188C]


(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=1S/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6285
PNG
(8-Cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamin...)
Show SMILES O=c1ccc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C21H25N7O/c29-19-8-5-15-13-24-21(26-20(15)28(19)16-3-1-2-4-16)25-18-7-6-17(14-23-18)27-11-9-22-10-12-27/h5-8,13-14,16,22H,1-4,9-12H2,(H,23,24,25,26)
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n/an/a 15n/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6287
PNG
(6-Bromo-8-cyclopentyl-2-(5-piperazin-1-yl-pyridin-...)
Show SMILES Brc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C21H24BrN7O/c22-17-11-14-12-25-21(27-19(14)29(20(17)30)15-3-1-2-4-15)26-18-6-5-16(13-24-18)28-9-7-23-8-10-28/h5-6,11-13,15,23H,1-4,7-10H2,(H,24,25,26,27)
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n/an/a 16n/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6294
PNG
(8-Cyclopentyl-6-ethoxymethyl-2-(5-piperazin-1-yl-p...)
Show SMILES CCOCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H31N7O2/c1-2-33-16-18-13-17-14-27-24(29-22(17)31(23(18)32)19-5-3-4-6-19)28-21-8-7-20(15-26-21)30-11-9-25-10-12-30/h7-8,13-15,19,25H,2-6,9-12,16H2,1H3,(H,26,27,28,29)
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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: 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/G1/S-specific cyclin-D1 [L188C]


(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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6289
PNG
(6-Amino-8-cyclopentyl-2-(5-piperazin-1-yl-pyridin-...)
Show SMILES Nc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C21H26N8O/c22-17-11-14-12-25-21(27-19(14)29(20(17)30)15-3-1-2-4-15)26-18-6-5-16(13-24-18)28-9-7-23-8-10-28/h5-6,11-13,15,23H,1-4,7-10,22H2,(H,24,25,26,27)
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n/an/a 19n/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/G1/S-specific cyclin-D1 [L188C]


(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/G1/S-specific cyclin-D1 [L188C]


(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 4/G1/S-specific cyclin-D1 [L188C]


(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 4/G1/S-specific cyclin-D1 [L188C]


(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=1S/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 4/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6295
PNG
(8-Cyclopentyl-6-(2-methoxy-ethoxymethyl)-2-(5-pipe...)
Show SMILES COCCOCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H33N7O3/c1-34-12-13-35-17-19-14-18-15-28-25(30-23(18)32(24(19)33)20-4-2-3-5-20)29-22-7-6-21(16-27-22)31-10-8-26-9-11-31/h6-7,14-16,20,26H,2-5,8-13,17H2,1H3,(H,27,28,29,30)
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n/an/a 31n/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/G1/S-specific cyclin-D1 [L188C]


(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=1S/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6297
PNG
(8-Cyclopentyl-6-(2-ethoxy-ethoxy)-2-(5-piperazin-1...)
Show SMILES CCOCCOc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H33N7O3/c1-2-34-13-14-35-21-15-18-16-28-25(30-23(18)32(24(21)33)19-5-3-4-6-19)29-22-8-7-20(17-27-22)31-11-9-26-10-12-31/h7-8,15-17,19,26H,2-6,9-14H2,1H3,(H,27,28,29,30)
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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/G1/S-specific cyclin-D1 [L188C]


(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/G1/S-specific cyclin-D1 [L188C]


(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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6288
PNG
(8-Cyclopentyl-6-fluoro-2-(5-piperazin-1-yl-pyridin...)
Show SMILES Fc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C21H24FN7O/c22-17-11-14-12-25-21(27-19(14)29(20(17)30)15-3-1-2-4-15)26-18-6-5-16(13-24-18)28-9-7-23-8-10-28/h5-6,11-13,15,23H,1-4,7-10H2,(H,24,25,26,27)
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n/an/a 51n/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6312
PNG
(6-Bromo-8-cyclopentyl-2-[5-(3,5-dimethyl-piperazin...)
Show SMILES CC1CN(CC(C)N1)c1ccc(Nc2ncc3c(C)c(Br)c(=O)n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C24H30BrN7O/c1-14-12-31(13-15(2)28-14)18-8-9-20(26-10-18)29-24-27-11-19-16(3)21(25)23(33)32(22(19)30-24)17-6-4-5-7-17/h8-11,14-15,17,28H,4-7,12-13H2,1-3H3,(H,26,27,29,30)
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n/an/a 63n/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6316
PNG
(6-Bromo-8-cyclopentyl-2-(4-hydroxy-3,4,5,6-tetrahy...)
Show SMILES Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCC(O)CC3)ncc12
Show InChI InChI=1S/C23H27BrN6O2/c1-14-18-13-26-23(28-21(18)30(22(32)20(14)24)15-4-2-3-5-15)27-19-7-6-16(12-25-19)29-10-8-17(31)9-11-29/h6-7,12-13,15,17,31H,2-5,8-11H2,1H3,(H,25,26,27,28)
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n/an/a 74n/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6299
PNG
(6-Acetyl-8-cyclopentyl-2-(5-piperazin-1-yl-pyridin...)
Show SMILES CC(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C23H27N7O2/c1-15(31)19-12-16-13-26-23(28-21(16)30(22(19)32)17-4-2-3-5-17)27-20-7-6-18(14-25-20)29-10-8-24-9-11-29/h6-7,12-14,17,24H,2-5,8-11H2,1H3,(H,25,26,27,28)
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n/an/a 123n/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6296
PNG
(8-Cyclopentyl-6-(2-ethoxy-ethyl)-2-(5-piperazin-1-...)
Show SMILES CCOCCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H33N7O2/c1-2-34-14-9-18-15-19-16-28-25(30-23(19)32(24(18)33)20-5-3-4-6-20)29-22-8-7-21(17-27-22)31-12-10-26-11-13-31/h7-8,15-17,20,26H,2-6,9-14H2,1H3,(H,27,28,29,30)
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n/an/a 124n/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6313
PNG
(6-Bromo-8-cyclopentyl-5-methyl-2-[5-(4-methyl-pipe...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(Br)c(=O)n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C23H28BrN7O/c1-15-18-14-26-23(28-21(18)31(22(32)20(15)24)16-5-3-4-6-16)27-19-8-7-17(13-25-19)30-11-9-29(2)10-12-30/h7-8,13-14,16H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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n/an/a 136n/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6283
PNG
(8-Cyclopentyl-2-(pyridin-2-ylamino)-8H-pyrido[2,3-...)
Show SMILES O=c1ccc2cnc(Nc3ccccn3)nc2n1C1CCCC1
Show InChI InChI=1S/C17H17N5O/c23-15-9-8-12-11-19-17(20-14-7-3-4-10-18-14)21-16(12)22(15)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6H2,(H,18,19,20,21)
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n/an/a 145n/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6307
PNG
(6-Bromo-8-cyclopentyl-5-methyl-2-(5-piperizin-1-yl...)
Show SMILES Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCNCC3)ncc12
Show InChI InChI=1S/C22H26BrN7O/c1-14-17-13-26-22(27-18-7-6-16(12-25-18)29-10-8-24-9-11-29)28-20(17)30(21(31)19(14)23)15-4-2-3-5-15/h6-7,12-13,15,24H,2-5,8-11H2,1H3,(H,25,26,27,28)
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n/an/a 160n/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6253
PNG
(8-Cyclopentyl-2-phenylamino-8H-pyrido[2,3-d]pyrimi...)
Show SMILES O=c1ccc2cnc(Nc3ccccc3)nc2n1C1CCCC1
Show InChI InChI=1S/C18H18N4O/c23-16-11-10-13-12-19-18(20-14-6-2-1-3-7-14)21-17(13)22(16)15-8-4-5-9-15/h1-3,6-7,10-12,15H,4-5,8-9H2,(H,19,20,21)
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n/an/a 210n/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-A2/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



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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6301
PNG
(6-bromo-8-cyclopentyl-5-methyl-2-{[4-(piperazin-1-...)
Show SMILES Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C23H27BrN6O/c1-15-19-14-26-23(27-16-6-8-17(9-7-16)29-12-10-25-11-13-29)28-21(19)30(22(31)20(15)24)18-4-2-3-5-18/h6-9,14,18,25H,2-5,10-13H2,1H3,(H,26,27,28)
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n/an/a 439n/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6308
PNG
(6-Acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylami...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccccn3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C20H21N5O2/c1-12-15-11-22-20(23-16-9-5-6-10-21-16)24-18(15)25(14-7-3-4-8-14)19(27)17(12)13(2)26/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,21,22,23,24)
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n/an/a 440n/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6304
PNG
(8-Cyclopentyl-5-methyl-2-(5-piperazin-4-yl-pyridin...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCNCC3)ncc12
Show InChI InChI=1S/C22H27N7O/c1-15-12-20(30)29(16-4-2-3-5-16)21-18(15)14-25-22(27-21)26-19-7-6-17(13-24-19)28-10-8-23-9-11-28/h6-7,12-14,16,23H,2-5,8-11H2,1H3,(H,24,25,26,27)
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n/an/a 580n/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6300
PNG
(8-Cyclopentyl-7-oxo-2-(5-piperazin-1-yl-pyridin-2-...)
Show SMILES CCOC(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H29N7O3/c1-2-34-23(33)19-13-16-14-27-24(29-21(16)31(22(19)32)17-5-3-4-6-17)28-20-8-7-18(15-26-20)30-11-9-25-10-12-30/h7-8,13-15,17,25H,2-6,9-12H2,1H3,(H,26,27,28,29)
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n/an/a 595n/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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6286
PNG
(8-Cyclohexyl-2-(5-piperazin-1-yl-pyridin-2-ylamino...)
Show SMILES O=c1ccc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCCC1
Show InChI InChI=1S/C22H27N7O/c30-20-9-6-16-14-25-22(27-21(16)29(20)17-4-2-1-3-5-17)26-19-8-7-18(15-24-19)28-12-10-23-11-13-28/h6-9,14-15,17,23H,1-5,10-13H2,(H,24,25,26,27)
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n/an/a 835n/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6282
PNG
(8-Cyclopropyl-2-(5-piperazin-1-yl-pyridin-2-ylamin...)
Show SMILES O=c1ccc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CC1
Show InChI InChI=1S/C19H21N7O/c27-17-6-1-13-11-22-19(24-18(13)26(17)14-2-3-14)23-16-5-4-15(12-21-16)25-9-7-20-8-10-25/h1,4-6,11-12,14,20H,2-3,7-10H2,(H,21,22,23,24)
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n/an/a 920n/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6305
PNG
(6-Bromo-8-cyclopentyl-2-(pyridin-2-ylamino)-8H-pyr...)
Show SMILES Brc1cc2cnc(Nc3ccccn3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C17H16BrN5O/c18-13-9-11-10-20-17(21-14-7-3-4-8-19-14)22-15(11)23(16(13)24)12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,19,20,21,22)
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n/an/a 950n/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6311
PNG
(2-({5-[bis(2-methoxyethyl)amino]pyridin-2-yl}amino...)
Show SMILES COCCN(CCOC)c1ccc(Nc2ncc3c(C)c(Br)c(=O)n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C24H31BrN6O3/c1-16-19-15-27-24(29-22(19)31(23(32)21(16)25)17-6-4-5-7-17)28-20-9-8-18(14-26-20)30(10-12-33-2)11-13-34-3/h8-9,14-15,17H,4-7,10-13H2,1-3H3,(H,26,27,28,29)
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n/an/a 1.10E+3n/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6298
PNG
(8-Cyclopentyl-6-isobutoxy-2-(5-piperazin-1-yl-pyri...)
Show SMILES CC(C)COc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H33N7O2/c1-17(2)16-34-21-13-18-14-28-25(30-23(18)32(24(21)33)19-5-3-4-6-19)29-22-8-7-20(15-27-22)31-11-9-26-10-12-31/h7-8,13-15,17,19,26H,3-6,9-12,16H2,1-2H3,(H,27,28,29,30)
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n/an/a 1.76E+3n/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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6317
PNG
(6-Bromo-8-cyclopentyl-5-methyl-2-(5-morpholin-4-yl...)
Show SMILES Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCOCC3)ncc12
Show InChI InChI=1S/C22H25BrN6O2/c1-14-17-13-25-22(26-18-7-6-16(12-24-18)28-8-10-31-11-9-28)27-20(17)29(21(30)19(14)23)15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,24,25,26,27)
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n/an/a 1.95E+3n/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-A2/Cyclin-dependent kinase 2


(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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6285
PNG
(8-Cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamin...)
Show SMILES O=c1ccc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C21H25N7O/c29-19-8-5-15-13-24-21(26-20(15)28(19)16-3-1-2-4-16)25-18-7-6-17(14-23-18)27-11-9-22-10-12-27/h5-8,13-14,16,22H,1-4,9-12H2,(H,23,24,25,26)
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n/an/a 2.50E+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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6293
PNG
(8-Cyclopentyl-6-methoxymethyl-2-(5-piperazin-1-ylp...)
Show SMILES COCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C23H29N7O2/c1-32-15-17-12-16-13-26-23(28-21(16)30(22(17)31)18-4-2-3-5-18)27-20-7-6-19(14-25-20)29-10-8-24-9-11-29/h6-7,12-14,18,24H,2-5,8-11,15H2,1H3,(H,25,26,27,28)
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n/an/a 3.80E+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-A2/Cyclin-dependent kinase 2


(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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6281
PNG
(2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-8-(propa...)
Show SMILES CC(C)n1c2nc(Nc3ccc(cn3)N3CCNCC3)ncc2ccc1=O
Show InChI InChI=1S/C19H23N7O/c1-13(2)26-17(27)6-3-14-11-22-19(24-18(14)26)23-16-5-4-15(12-21-16)25-9-7-20-8-10-25/h3-6,11-13,20H,7-10H2,1-2H3,(H,21,22,23,24)
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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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6295
PNG
(8-Cyclopentyl-6-(2-methoxy-ethoxymethyl)-2-(5-pipe...)
Show SMILES COCCOCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H33N7O3/c1-34-12-13-35-17-19-14-18-15-28-25(30-23(18)32(24(19)33)20-4-2-3-5-20)29-22-7-6-21(16-27-22)31-10-8-26-9-11-31/h6-7,14-16,20,26H,2-5,8-13,17H2,1H3,(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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6299
PNG
(6-Acetyl-8-cyclopentyl-2-(5-piperazin-1-yl-pyridin...)
Show SMILES CC(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C23H27N7O2/c1-15(31)19-12-16-13-26-23(28-21(16)30(22(19)32)17-4-2-3-5-17)27-20-7-6-18(14-25-20)29-10-8-24-9-11-29/h6-7,12-14,17,24H,2-5,8-11H2,1H3,(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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6300
PNG
(8-Cyclopentyl-7-oxo-2-(5-piperazin-1-yl-pyridin-2-...)
Show SMILES CCOC(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H29N7O3/c1-2-34-23(33)19-13-16-14-27-24(29-21(16)31(22(19)32)17-5-3-4-6-17)28-20-8-7-18(15-26-20)30-11-9-25-10-12-30/h7-8,13-15,17,25H,2-6,9-12H2,1H3,(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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6306
PNG
(6-Bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamin...)
Show SMILES Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccccn3)ncc12
Show InChI InChI=1S/C18H18BrN5O/c1-11-13-10-21-18(22-14-8-4-5-9-20-14)23-16(13)24(17(25)15(11)19)12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,20,21,22,23)
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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-A2/Cyclin-dependent kinase 2


(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-A2/Cyclin-dependent kinase 2


(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=1S/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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6313
PNG
(6-Bromo-8-cyclopentyl-5-methyl-2-[5-(4-methyl-pipe...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(Br)c(=O)n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C23H28BrN7O/c1-15-18-14-26-23(28-21(18)31(22(32)20(15)24)16-5-3-4-6-16)27-19-8-7-17(13-25-19)30-11-9-29(2)10-12-30/h7-8,13-14,16H,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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6314
PNG
(6-Bromo-8-cyclopentyl-2-(5-[1,4]diazepan-1-yl-pyri...)
Show SMILES Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCCNCC3)ncc12
Show InChI InChI=1S/C23H28BrN7O/c1-15-18-14-27-23(29-21(18)31(22(32)20(15)24)16-5-2-3-6-16)28-19-8-7-17(13-26-19)30-11-4-9-25-10-12-30/h7-8,13-14,16,25H,2-6,9-12H2,1H3,(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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6294
PNG
(8-Cyclopentyl-6-ethoxymethyl-2-(5-piperazin-1-yl-p...)
Show SMILES CCOCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H31N7O2/c1-2-33-16-18-13-17-14-27-24(29-22(17)31(23(18)32)19-5-3-4-6-19)28-21-8-7-20(15-26-21)30-11-9-25-10-12-30/h7-8,13-15,19,25H,2-6,9-12,16H2,1H3,(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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6304
PNG
(8-Cyclopentyl-5-methyl-2-(5-piperazin-4-yl-pyridin...)
Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCNCC3)ncc12
Show InChI InChI=1S/C22H27N7O/c1-15-12-20(30)29(16-4-2-3-5-16)21-18(15)14-25-22(27-21)26-19-7-6-17(13-24-19)28-10-8-23-9-11-28/h6-7,12-14,16,23H,2-5,8-11H2,1H3,(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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6309
PNG
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6311
PNG
(2-({5-[bis(2-methoxyethyl)amino]pyridin-2-yl}amino...)
Show SMILES COCCN(CCOC)c1ccc(Nc2ncc3c(C)c(Br)c(=O)n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C24H31BrN6O3/c1-16-19-15-27-24(29-22(19)31(23(32)21(16)25)17-6-4-5-7-17)28-20-9-8-18(14-26-20)30(10-12-33-2)11-13-34-3/h8-9,14-15,17H,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-A2/Cyclin-dependent kinase 2


(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 4/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6281
PNG
(2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-8-(propa...)
Show SMILES CC(C)n1c2nc(Nc3ccc(cn3)N3CCNCC3)ncc2ccc1=O
Show InChI InChI=1S/C19H23N7O/c1-13(2)26-17(27)6-3-14-11-22-19(24-18(14)26)23-16-5-4-15(12-21-16)25-9-7-20-8-10-25/h3-6,11-13,20H,7-10H2,1-2H3,(H,21,22,23,24)
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n/an/a>5.00E+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: 2388-406 (2005)


Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6298
PNG
(8-Cyclopentyl-6-isobutoxy-2-(5-piperazin-1-yl-pyri...)
Show SMILES CC(C)COc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H33N7O2/c1-17(2)16-34-21-13-18-14-28-25(30-23(18)32(24(21)33)19-5-3-4-6-19)29-22-8-7-20(15-27-22)31-11-9-26-10-12-31/h7-8,13-15,17,19,26H,3-6,9-12,16H2,1-2H3,(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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6312
PNG
(6-Bromo-8-cyclopentyl-2-[5-(3,5-dimethyl-piperazin...)
Show SMILES CC1CN(CC(C)N1)c1ccc(Nc2ncc3c(C)c(Br)c(=O)n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C24H30BrN7O/c1-14-12-31(13-15(2)28-14)18-8-9-20(26-10-18)29-24-27-11-19-16(3)21(25)23(33)32(22(19)30-24)17-6-4-5-7-17/h8-11,14-15,17,28H,4-7,12-13H2,1-3H3,(H,26,27,29,30)
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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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6316
PNG
(6-Bromo-8-cyclopentyl-2-(4-hydroxy-3,4,5,6-tetrahy...)
Show SMILES Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCC(O)CC3)ncc12
Show InChI InChI=1S/C23H27BrN6O2/c1-14-18-13-26-23(28-21(18)30(22(32)20(14)24)15-4-2-3-5-15)27-19-7-6-16(12-25-19)29-10-8-17(31)9-11-29/h6-7,12-13,15,17,31H,2-5,8-11H2,1H3,(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 4/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6315
PNG
(6-Bromo-8-cyclopentyl-5-methyl-2-(3,4,5,6-tetrahyd...)
Show SMILES Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCCCC3)ncc12
Show InChI InChI=1S/C23H27BrN6O/c1-15-18-14-26-23(27-19-10-9-17(13-25-19)29-11-5-2-6-12-29)28-21(18)30(22(31)20(15)24)16-7-3-4-8-16/h9-10,13-14,16H,2-8,11-12H2,1H3,(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 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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6282
PNG
(8-Cyclopropyl-2-(5-piperazin-1-yl-pyridin-2-ylamin...)
Show SMILES O=c1ccc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CC1
Show InChI InChI=1S/C19H21N7O/c27-17-6-1-13-11-22-19(24-18(13)26(17)14-2-3-14)23-16-5-4-15(12-21-16)25-9-7-20-8-10-25/h1,4-6,11-12,14,20H,2-3,7-10H2,(H,21,22,23,24)
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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-A2/Cyclin-dependent kinase 2


(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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6305
PNG
(6-Bromo-8-cyclopentyl-2-(pyridin-2-ylamino)-8H-pyr...)
Show SMILES Brc1cc2cnc(Nc3ccccn3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C17H16BrN5O/c18-13-9-11-10-20-17(21-14-7-3-4-8-19-14)22-15(11)23(16(13)24)12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,19,20,21,22)
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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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6317
PNG
(6-Bromo-8-cyclopentyl-5-methyl-2-(5-morpholin-4-yl...)
Show SMILES Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCOCC3)ncc12
Show InChI InChI=1S/C22H25BrN6O2/c1-14-17-13-25-22(26-18-7-6-16(12-24-18)28-8-10-31-11-9-28)27-20(17)29(21(30)19(14)23)15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3,(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-A2/Cyclin-dependent kinase 2


(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 4/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6306
PNG
(6-Bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamin...)
Show SMILES Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccccn3)ncc12
Show InChI InChI=1S/C18H18BrN5O/c1-11-13-10-21-18(22-14-8-4-5-9-20-14)23-16(13)24(17(25)15(11)19)12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,20,21,22,23)
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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 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/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM6314
PNG
(6-Bromo-8-cyclopentyl-2-(5-[1,4]diazepan-1-yl-pyri...)
Show SMILES Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCCNCC3)ncc12
Show InChI InChI=1S/C23H28BrN7O/c1-15-18-14-27-23(29-21(18)31(22(32)20(15)24)16-5-2-3-6-16)28-19-8-7-17(13-26-19)30-11-4-9-25-10-12-30/h7-8,13-14,16,25H,2-6,9-12H2,1H3,(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 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-A2/Cyclin-dependent kinase 2


(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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6308
PNG
(6-Acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylami...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccccn3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C20H21N5O2/c1-12-15-11-22-20(23-16-9-5-6-10-21-16)24-18(15)25(14-7-3-4-8-14)19(27)17(12)13(2)26/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,21,22,23,24)
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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-A2/Cyclin-dependent kinase 2


(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=1S/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-A2/Cyclin-dependent kinase 2


(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-A2/Cyclin-dependent kinase 2


(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-A2/Cyclin-dependent kinase 2


(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=1S/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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6289
PNG
(6-Amino-8-cyclopentyl-2-(5-piperazin-1-yl-pyridin-...)
Show SMILES Nc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C21H26N8O/c22-17-11-14-12-25-21(27-19(14)29(20(17)30)15-3-1-2-4-15)26-18-6-5-16(13-24-18)28-9-7-23-8-10-28/h5-6,11-13,15,23H,1-4,7-10,22H2,(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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6296
PNG
(8-Cyclopentyl-6-(2-ethoxy-ethyl)-2-(5-piperazin-1-...)
Show SMILES CCOCCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H33N7O2/c1-2-34-14-9-18-15-19-16-28-25(30-23(19)32(24(18)33)20-5-3-4-6-20)29-22-8-7-21(17-27-22)31-12-10-26-11-13-31/h7-8,15-17,20,26H,2-6,9-14H2,1H3,(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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6303
PNG
(Pyrido-[2,3-d]-pyrimidin-7-one 37 | ethyl 8-cyclop...)
Show SMILES CCOC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C26H32N6O3/c1-3-35-25(34)22-17(2)21-16-28-26(30-23(21)32(24(22)33)20-6-4-5-7-20)29-18-8-10-19(11-9-18)31-14-12-27-13-15-31/h8-11,16,20,27H,3-7,12-15H2,1-2H3,(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: 2388-406 (2005)


Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6307
PNG
(6-Bromo-8-cyclopentyl-5-methyl-2-(5-piperizin-1-yl...)
Show SMILES Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCNCC3)ncc12
Show InChI InChI=1S/C22H26BrN7O/c1-14-17-13-26-22(27-18-7-6-16(12-25-18)29-10-8-24-9-11-29)28-20(17)30(21(31)19(14)23)15-4-2-3-5-15/h6-7,12-13,15,24H,2-5,8-11H2,1H3,(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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6315
PNG
(6-Bromo-8-cyclopentyl-5-methyl-2-(3,4,5,6-tetrahyd...)
Show SMILES Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCCCC3)ncc12
Show InChI InChI=1S/C23H27BrN6O/c1-15-18-14-26-23(27-19-10-9-17(13-25-19)29-11-5-2-6-12-29)28-21(18)30(22(31)20(15)24)16-7-3-4-8-16/h9-10,13-14,16H,2-8,11-12H2,1H3,(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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6288
PNG
(8-Cyclopentyl-6-fluoro-2-(5-piperazin-1-yl-pyridin...)
Show SMILES Fc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C21H24FN7O/c22-17-11-14-12-25-21(27-19(14)29(20(17)30)15-3-1-2-4-15)26-18-6-5-16(13-24-18)28-9-7-23-8-10-28/h5-6,11-13,15,23H,1-4,7-10H2,(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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6297
PNG
(8-Cyclopentyl-6-(2-ethoxy-ethoxy)-2-(5-piperazin-1...)
Show SMILES CCOCCOc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H33N7O3/c1-2-34-13-14-35-21-15-18-16-28-25(30-23(18)32(24(21)33)19-5-3-4-6-19)29-22-8-7-20(17-27-22)31-11-9-26-10-12-31/h7-8,15-17,19,26H,2-6,9-14H2,1H3,(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-A2/Cyclin-dependent kinase 2


(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-A2/Cyclin-dependent kinase 2


(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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6283
PNG
(8-Cyclopentyl-2-(pyridin-2-ylamino)-8H-pyrido[2,3-...)
Show SMILES O=c1ccc2cnc(Nc3ccccn3)nc2n1C1CCCC1
Show InChI InChI=1S/C17H17N5O/c23-15-9-8-12-11-19-17(20-14-7-3-4-10-18-14)21-16(12)22(15)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6H2,(H,18,19,20,21)
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n/an/a 5.01E+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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM6287
PNG
(6-Bromo-8-cyclopentyl-2-(5-piperazin-1-yl-pyridin-...)
Show SMILES Brc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C21H24BrN7O/c22-17-11-14-12-25-21(27-19(14)29(20(17)30)15-3-1-2-4-15)26-18-6-5-16(13-24-18)28-9-7-23-8-10-28/h5-6,11-13,15,23H,1-4,7-10H2,(H,24,25,26,27)
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n/an/a 6.05E+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
* indicates data uncertainty>20%