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Compile Data Set for Download or QSAR

Found 1243 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 4'   
Target
(Institution)
LigandTarget
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


(Homo sapiens (human))
BDBM132266
PNG
(US8841312, 8)
Show SMILES C1CCC(C1)n1c2cnccc2c2cnc(Nc3cnc(nc3)N3CCNCC3)nc12
Show InChI InChI=1S/C22H25N9/c1-2-4-16(3-1)31-19-14-24-6-5-17(19)18-13-25-21(29-20(18)31)28-15-11-26-22(27-12-15)30-9-7-23-8-10-30/h5-6,11-14,16,23H,1-4,7-10H2,(H,25,28,29)
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US Patent
n/an/a 0.130n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50293153
PNG
(CHEMBL526110 | N-(3-nitrophenyl)-4-(pyrazolo[1,5-b...)
Show SMILES [O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-4-1-3-11(9-12)20-16-17-8-6-14(21-16)13-10-19-22-15(13)5-2-7-18-22/h1-10H,(H,17,20,21)
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Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132275
PNG
(US8841312, 17)
Show SMILES C1CN(CCN1)c1ccc(Nc2ncc3c(n2)n(-c2ccccc2)c2cnccc32)cc1
Show InChI InChI=1S/C25H23N7/c1-2-4-20(5-3-1)32-23-17-27-11-10-21(23)22-16-28-25(30-24(22)32)29-18-6-8-19(9-7-18)31-14-12-26-13-15-31/h1-11,16-17,26H,12-15H2,(H,28,29,30)
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n/an/a 0.320n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132261
PNG
(US8841312, 3)
Show SMILES C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
Show InChI InChI=1S/C24H27N7/c1-2-4-19(3-1)31-22-16-26-10-9-20(22)21-15-27-24(29-23(21)31)28-17-5-7-18(8-6-17)30-13-11-25-12-14-30/h5-10,15-16,19,25H,1-4,11-14H2,(H,27,28,29)
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n/an/a 0.450n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132293
PNG
(US8841312, 36)
Show SMILES C1CCC(C1)n1c2ncccc2c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
Show InChI InChI=1S/C24H27N7/c1-2-5-19(4-1)31-22-20(6-3-11-26-22)21-16-27-24(29-23(21)31)28-17-7-9-18(10-8-17)30-14-12-25-13-15-30/h3,6-11,16,19,25H,1-2,4-5,12-15H2,(H,27,28,29)
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n/an/a 0.830n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132263
PNG
(US8841312, 5)
Show SMILES Cc1cc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)cnc1N1CCNCC1
Show InChI InChI=1S/C24H28N8/c1-16-12-17(13-27-22(16)31-10-8-25-9-11-31)29-24-28-14-20-19-6-7-26-15-21(19)32(23(20)30-24)18-4-2-3-5-18/h6-7,12-15,18,25H,2-5,8-11H2,1H3,(H,28,29,30)
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n/an/a 0.910n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132281
PNG
(US8841312, 24)
Show SMILES C1CC2CC1CC2n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
Show InChI InChI=1/C25H28N8/c1-2-17-11-16(1)12-21(17)33-22-15-27-6-5-19(22)20-14-29-25(31-24(20)33)30-23-4-3-18(13-28-23)32-9-7-26-8-10-32/h3-6,13-17,21,26H,1-2,7-12H2,(H,28,29,30,31)
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n/an/a 0.940n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132311
PNG
(US8841312, 56)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)cn1
Show InChI InChI=1S/C26H32N8/c1-32(2)19-10-13-33(14-11-19)24-8-7-18(15-28-24)30-26-29-16-22-21-9-12-27-17-23(21)34(25(22)31-26)20-5-3-4-6-20/h7-9,12,15-17,19-20H,3-6,10-11,13-14H2,1-2H3,(H,29,30,31)
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n/an/a 0.970n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132732
PNG
(US8841312, 258a)
Show SMILES CN(C)[C@@H]1CN(CC[C@H]1O)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
Show InChI InChI=1/C25H31N9O/c1-32(2)20-15-33(12-10-21(20)35)23-8-7-22(30-31-23)28-25-27-13-18-17-9-11-26-14-19(17)34(24(18)29-25)16-5-3-4-6-16/h7-9,11,13-14,16,20-21,35H,3-6,10,12,15H2,1-2H3,(H,27,28,29,30)/t20-,21-/s2
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n/an/a 1n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132279
PNG
(US8841312, 21)
Show SMILES C1CCC(CC1)n1c2ccccc2c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
Show InChI InChI=1S/C26H30N6/c1-2-6-21(7-3-1)32-24-9-5-4-8-22(24)23-18-28-26(30-25(23)32)29-19-10-12-20(13-11-19)31-16-14-27-15-17-31/h4-5,8-13,18,21,27H,1-3,6-7,14-17H2,(H,28,29,30)
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n/an/a 1n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132406
PNG
(US8841312, 153)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccnc(Cl)c4n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C26H31ClN8/c1-33(2)17-10-13-34(14-11-17)19-7-8-22(29-15-19)31-26-30-16-21-20-9-12-28-24(27)23(20)35(25(21)32-26)18-5-3-4-6-18/h7-9,12,15-18H,3-6,10-11,13-14H2,1-2H3,(H,29,30,31,32)
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n/an/a 1n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132471
PNG
(US8841312, 220)
Show SMILES OC(=O)CN1CCN(Cc2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1
Show InChI InChI=1S/C26H30N8O2/c35-24(36)17-33-11-9-32(10-12-33)16-18-5-6-23(28-13-18)30-26-29-14-21-20-7-8-27-15-22(20)34(25(21)31-26)19-3-1-2-4-19/h5-8,13-15,19H,1-4,9-12,16-17H2,(H,35,36)(H,28,29,30,31)
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n/an/a 1n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132399
PNG
(US8841312, 145)
Show SMILES CCN(CC)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
Show InChI InChI=1S/C27H35N9/c1-3-34(4-2)19-12-15-35(16-13-19)25-10-9-24(32-33-25)30-27-29-17-22-21-11-14-28-18-23(21)36(26(22)31-27)20-7-5-6-8-20/h9-11,14,17-20H,3-8,12-13,15-16H2,1-2H3,(H,29,30,31,32)
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n/an/a 1n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM146964
PNG
(US8957074, 3)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC3CN4)nc2n1C1CCCCCC1
Show InChI InChI=1/C27H34N8O2/c1-33(2)26(37)22-11-18-14-30-27(32-24(18)35(22)20-7-5-3-4-6-8-20)31-23-10-9-17(13-29-23)25(36)34-16-19-12-21(34)15-28-19/h9-11,13-14,19-21,28H,3-8,12,15-16H2,1-2H3,(H,29,30,31,32)
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...


US Patent US8957074 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132271
PNG
(US8841312, 13)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1
Show InChI InChI=1S/C25H31N9/c1-32(2)17-10-13-33(14-11-17)23-8-7-22(30-31-23)28-25-27-15-20-19-9-12-26-16-21(19)34(24(20)29-25)18-5-3-4-6-18/h7-9,12,15-18H,3-6,10-11,13-14H2,1-2H3,(H,27,28,29,30)
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n/an/a 1n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50001537
PNG
(CHEMBL3237702 | US8841312, 55)
Show SMILES CC1CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
Show InChI InChI=1S/C25H30N8/c1-17-2-4-18(5-3-17)33-22-16-27-9-8-20(22)21-15-29-25(31-24(21)33)30-23-7-6-19(14-28-23)32-12-10-26-11-13-32/h6-9,14-18,26H,2-5,10-13H2,1H3,(H,28,29,30,31)
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n/an/a 1.20n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132392
PNG
(US8841312, 138)
Show SMILES CC(C)N1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C26H32N8/c1-18(2)32-11-13-33(14-12-32)20-7-8-24(28-15-20)30-26-29-16-22-21-9-10-27-17-23(21)34(25(22)31-26)19-5-3-4-6-19/h7-10,15-19H,3-6,11-14H2,1-2H3,(H,28,29,30,31)
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n/an/a 1.20n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132507
PNG
(US8841312, 256)
Show SMILES C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cn3)C3=CCNCC3)nc12
Show InChI InChI=1S/C24H25N7/c1-2-4-18(3-1)31-21-15-26-12-9-19(21)20-14-28-24(30-23(20)31)29-22-6-5-17(13-27-22)16-7-10-25-11-8-16/h5-7,9,12-15,18,25H,1-4,8,10-11H2,(H,27,28,29,30)
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n/an/a 1.30n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132321
PNG
(US8841312, 67)
Show SMILES NCC1CCCN(C1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
Show InChI InChI=1/C25H30N8/c26-12-17-4-3-11-32(16-17)19-7-8-23(28-13-19)30-25-29-14-21-20-9-10-27-15-22(20)33(24(21)31-25)18-5-1-2-6-18/h7-10,13-15,17-18H,1-6,11-12,16,26H2,(H,28,29,30,31)
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n/an/a 1.30n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132280
PNG
(US8841312, 22)
Show SMILES C1CCC(CC1)n1c2ccccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
Show InChI InChI=1S/C25H29N7/c1-2-6-18(7-3-1)32-22-9-5-4-8-20(22)21-17-28-25(30-24(21)32)29-23-11-10-19(16-27-23)31-14-12-26-13-15-31/h4-5,8-11,16-18,26H,1-3,6-7,12-15H2,(H,27,28,29,30)
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n/an/a 1.30n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132696
PNG
(US8841312, 446)
Show SMILES OC[C@H](O)CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
Show InChI InChI=1/C26H33N9O2/c36-16-19(37)13-28-17-8-11-34(12-9-17)24-6-5-23(32-33-24)30-26-29-14-21-20-7-10-27-15-22(20)35(25(21)31-26)18-3-1-2-4-18/h5-7,10,14-15,17-19,28,36-37H,1-4,8-9,11-13,16H2,(H,29,30,31,32)/t19-/s2
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n/an/a 1.30n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132469
PNG
(US8841312, 218)
Show SMILES OC(=O)CN1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
Show InChI InChI=1S/C24H27N9O2/c34-22(35)15-31-9-11-32(12-10-31)21-6-5-20(29-30-21)27-24-26-13-18-17-7-8-25-14-19(17)33(23(18)28-24)16-3-1-2-4-16/h5-8,13-14,16H,1-4,9-12,15H2,(H,34,35)(H,26,27,28,29)
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n/an/a 1.39n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132548
PNG
(US8841312, 297)
Show SMILES OCCCNc1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1
Show InChI InChI=1S/C21H24N8O/c30-11-3-9-23-18-6-7-19(28-27-18)25-21-24-12-16-15-8-10-22-13-17(15)29(20(16)26-21)14-4-1-2-5-14/h6-8,10,12-14,30H,1-5,9,11H2,(H,23,27)(H,24,25,26,28)
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n/an/a 1.40n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132265
PNG
(US8841312, 7)
Show SMILES C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(nc3)N3CCNCC3)nc12
Show InChI InChI=1S/C23H26N8/c1-2-4-17(3-1)31-20-15-25-8-7-18(20)19-14-27-23(29-22(19)31)28-16-5-6-21(26-13-16)30-11-9-24-10-12-30/h5-8,13-15,17,24H,1-4,9-12H2,(H,27,28,29)
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n/an/a 1.40n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132472
PNG
(US8841312, 221)
Show SMILES O=C(N1CCNCC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C24H26N8O/c33-23(31-11-9-25-10-12-31)16-5-6-21(27-13-16)29-24-28-14-19-18-7-8-26-15-20(18)32(22(19)30-24)17-3-1-2-4-17/h5-8,13-15,17,25H,1-4,9-12H2,(H,27,28,29,30)
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n/an/a 1.40n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132329
PNG
(US8841312, 75)
Show SMILES CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C25H30N8/c1-26-17-9-12-32(13-10-17)19-6-7-23(28-14-19)30-25-29-15-21-20-8-11-27-16-22(20)33(24(21)31-25)18-4-2-3-5-18/h6-8,11,14-18,26H,2-5,9-10,12-13H2,1H3,(H,28,29,30,31)
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n/an/a 1.40n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132692
PNG
(US8841312, 442)
Show SMILES C[C@@H](CO)NC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
Show InChI InChI=1/C26H33N9O/c1-17(16-36)29-18-9-12-34(13-10-18)24-7-6-23(32-33-24)30-26-28-14-21-20-8-11-27-15-22(20)35(25(21)31-26)19-4-2-3-5-19/h6-8,11,14-15,17-19,29,36H,2-5,9-10,12-13,16H2,1H3,(H,28,30,31,32)/t17-/s2
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n/an/a 1.5n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132264
PNG
(US8841312, 6)
Show SMILES C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCNCC3)nc12
Show InChI InChI=1S/C22H25N9/c1-2-4-15(3-1)31-18-14-24-8-7-16(18)17-13-25-22(27-21(17)31)26-19-5-6-20(29-28-19)30-11-9-23-10-12-30/h5-8,13-15,23H,1-4,9-12H2,(H,25,26,27,28)
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n/an/a 1.5n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132305
PNG
(US8841312, 48)
Show SMILES C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCCNCC3)nc12
Show InChI InChI=1S/C24H28N8/c1-2-5-17(4-1)32-21-16-26-10-8-19(21)20-15-28-24(30-23(20)32)29-22-7-6-18(14-27-22)31-12-3-9-25-11-13-31/h6-8,10,14-17,25H,1-5,9,11-13H2,(H,27,28,29,30)
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n/an/a 1.60n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132368
PNG
(US8841312, 114)
Show SMILES NC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
Show InChI InChI=1S/C23H27N9/c24-15-8-11-31(12-9-15)21-6-5-20(29-30-21)27-23-26-13-18-17-7-10-25-14-19(17)32(22(18)28-23)16-3-1-2-4-16/h5-7,10,13-16H,1-4,8-9,11-12,24H2,(H,26,27,28,29)
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n/an/a 1.60n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132276
PNG
(US8841312, 18)
Show SMILES O[C@@H]1CCN(C1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1
Show InChI InChI=1/C22H24N8O/c31-15-8-10-29(13-15)20-6-5-19(27-28-20)25-22-24-11-17-16-7-9-23-12-18(16)30(21(17)26-22)14-3-1-2-4-14/h5-7,9,11-12,14-15,31H,1-4,8,10,13H2,(H,24,25,26,27)/t15-/s2
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n/an/a 1.60n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132283
PNG
(US8841312, 26)
Show SMILES C1CN(CCN1)c1ccc(Nc2ncc3c(n2)n(c2cnccc32)C23CC4CC(CC(C4)C2)C3)nc1
Show InChI InChI=1S/C28H32N8/c1-2-25(31-15-21(1)35-7-5-29-6-8-35)33-27-32-16-23-22-3-4-30-17-24(22)36(26(23)34-27)28-12-18-9-19(13-28)11-20(10-18)14-28/h1-4,15-20,29H,5-14H2,(H,31,32,33,34)
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n/an/a 1.60n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132726
PNG
(US8841312, 476)
Show SMILES COC(=O)CNC1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1
Show InChI InChI=1S/C26H31N9O2/c1-37-24(36)16-28-17-9-12-34(13-10-17)23-7-6-22(32-33-23)30-26-29-14-20-19-8-11-27-15-21(19)35(25(20)31-26)18-4-2-3-5-18/h6-8,11,14-15,17-18,28H,2-5,9-10,12-13,16H2,1H3,(H,29,30,31,32)
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n/an/a 1.70n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132691
PNG
(US8841312, 441)
Show SMILES C[C@@H](O)CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
Show InChI InChI=1/C26H33N9O/c1-17(36)14-28-18-9-12-34(13-10-18)24-7-6-23(32-33-24)30-26-29-15-21-20-8-11-27-16-22(20)35(25(21)31-26)19-4-2-3-5-19/h6-8,11,15-19,28,36H,2-5,9-10,12-14H2,1H3,(H,29,30,31,32)/t17-/s2
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n/an/a 1.70n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132315
PNG
(US8841312, 61)
Show SMILES C[C@@H]1CN(CCN1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
Show InChI InChI=1/C24H28N8/c1-16-15-31(11-10-26-16)18-6-7-22(27-12-18)29-24-28-13-20-19-8-9-25-14-21(19)32(23(20)30-24)17-4-2-3-5-17/h6-9,12-14,16-17,26H,2-5,10-11,15H2,1H3,(H,27,28,29,30)/t16-/s2
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n/an/a 1.70n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132459
PNG
(US8841312, 208)
Show SMILES CC1(C)CCC(CC1)n1c2nc(Nc3ccc(cn3)N3CCNCC3)ncc2c2ccnc(O)c12
Show InChI InChI=1S/C26H32N8O/c1-26(2)8-5-17(6-9-26)34-22-19(7-10-28-24(22)35)20-16-30-25(32-23(20)34)31-21-4-3-18(15-29-21)33-13-11-27-12-14-33/h3-4,7,10,15-17,27H,5-6,8-9,11-14H2,1-2H3,(H,28,35)(H,29,30,31,32)
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n/an/a 1.80n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132396
PNG
(US8841312, 142)
Show SMILES COCCN1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C26H32N8O/c1-35-15-14-32-10-12-33(13-11-32)20-6-7-24(28-16-20)30-26-29-17-22-21-8-9-27-18-23(21)34(25(22)31-26)19-4-2-3-5-19/h6-9,16-19H,2-5,10-15H2,1H3,(H,28,29,30,31)
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n/an/a 1.80n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132694
PNG
(US8841312, 444)
Show SMILES C[C@H](CO)NC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
Show InChI InChI=1/C26H33N9O/c1-17(16-36)29-18-9-12-34(13-10-18)24-7-6-23(32-33-24)30-26-28-14-21-20-8-11-27-15-22(20)35(25(21)31-26)19-4-2-3-5-19/h6-8,11,14-15,17-19,29,36H,2-5,9-10,12-13,16H2,1H3,(H,28,30,31,32)/t17-/s2
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n/an/a 1.90n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132363
PNG
(US8841312, 109)
Show SMILES N[C@@H]1CCN(C1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1
Show InChI InChI=1/C22H25N9/c23-14-8-10-30(13-14)20-6-5-19(28-29-20)26-22-25-11-17-16-7-9-24-12-18(16)31(21(17)27-22)15-3-1-2-4-15/h5-7,9,11-12,14-15H,1-4,8,10,13,23H2,(H,25,26,27,28)/t14-/s2
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US Patent
n/an/a 1.90n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132439
PNG
(US8841312, 186A)
Show SMILES O[C@@H]1CCN(C1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2c(F)nccc32)nc1
Show InChI InChI=1/C23H24FN7O/c24-21-20-17(7-9-25-21)18-12-27-23(29-22(18)31(20)14-3-1-2-4-14)28-19-6-5-15(11-26-19)30-10-8-16(32)13-30/h5-7,9,11-12,14,16,32H,1-4,8,10,13H2,(H,26,27,28,29)/t16-/s2
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n/an/a 1.90n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(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



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin) using GST-fused pRb (792 to 928) as substrate preincubated for 2 mins followed by [gamma-32P]-ATP addition measur...


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

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50267898
PNG
((4Z)-4-{[(3-Hydroxy-4-methoxybenzyl)amino]methylen...)
Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccsc2)cc1O
Show InChI InChI=1S/C22H18N2O4S/c1-28-20-5-2-13(8-19(20)25)10-23-11-18-17-9-14(15-6-7-29-12-15)3-4-16(17)21(26)24-22(18)27/h2-9,11-12,23,25H,10H2,1H3,(H,24,26,27)
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n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50110179
PNG
(CHEMBL190281)
Show SMILES Brc1cc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C22H25BrN6O/c23-19-13-15-14-25-22(27-20(15)29(21(19)30)18-3-1-2-4-18)26-16-5-7-17(8-6-16)28-11-9-24-10-12-28/h5-8,13-14,18,24H,1-4,9-12H2,(H,25,26,27)
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n/an/a 2n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin) using GST-fused pRb (792 to 928) as substrate preincubated for 2 mins followed by [gamma-32P]-ATP addition measur...


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

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50267899
PNG
((4Z)-6-(3-Furyl)-4-{[(3-hydroxy-4-methoxybenzyl)am...)
Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1O
Show InChI InChI=1S/C22H18N2O5/c1-28-20-5-2-13(8-19(20)25)10-23-11-18-17-9-14(15-6-7-29-12-15)3-4-16(17)21(26)24-22(18)27/h2-9,11-12,23,25H,10H2,1H3,(H,24,26,27)
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n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM6619
PNG
(3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12
Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Inhibition of CDK4


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132316
PNG
(US8841312, 62)
Show SMILES C[C@H]1CN(CCN1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
Show InChI InChI=1/C24H28N8/c1-16-15-31(11-10-26-16)18-6-7-22(27-12-18)29-24-28-13-20-19-8-9-25-14-21(19)32(23(20)30-24)17-4-2-3-5-17/h6-9,12-14,16-17,26H,2-5,10-11,15H2,1H3,(H,27,28,29,30)/t16-/s2
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n/an/a 2n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132304
PNG
(US8841312, 47)
Show SMILES C1CCC(C1)n1c2ccccc2c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
Show InChI InChI=1S/C25H28N6/c1-2-6-20(5-1)31-23-8-4-3-7-21(23)22-17-27-25(29-24(22)31)28-18-9-11-19(12-10-18)30-15-13-26-14-16-30/h3-4,7-12,17,20,26H,1-2,5-6,13-16H2,(H,27,28,29)
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US Patent
n/an/a 2n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132728
PNG
(US8841312, 478)
Show SMILES OC(=O)CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
Show InChI InChI=1S/C25H29N9O2/c35-23(36)15-27-16-8-11-33(12-9-16)22-6-5-21(31-32-22)29-25-28-13-19-18-7-10-26-14-20(18)34(24(19)30-25)17-3-1-2-4-17/h5-7,10,13-14,16-17,27H,1-4,8-9,11-12,15H2,(H,35,36)(H,28,29,30,31)
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US Patent
n/an/a 2n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132303
PNG
(US8841312, 46)
Show SMILES C1CN(CCN1)c1ccc(Nc2ncc3c(n2)n(C2CCOCC2)c2ccccc32)cc1
Show InChI InChI=1S/C25H28N6O/c1-2-4-23-21(3-1)22-17-27-25(29-24(22)31(23)20-9-15-32-16-10-20)28-18-5-7-19(8-6-18)30-13-11-26-12-14-30/h1-8,17,20,26H,9-16H2,(H,27,28,29)
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US Patent
n/an/a 2n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132727
PNG
(US8841312, 477)
Show SMILES OC(=O)CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C26H30N8O2/c35-24(36)16-28-17-8-11-33(12-9-17)19-5-6-23(29-13-19)31-26-30-14-21-20-7-10-27-15-22(20)34(25(21)32-26)18-3-1-2-4-18/h5-7,10,13-15,17-18,28H,1-4,8-9,11-12,16H2,(H,35,36)(H,29,30,31,32)
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US Patent
n/an/a 2n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)

More data for this
Ligand-Target Pair
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