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Compile Data Set for Download or QSAR

Found 4240 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


(Homo sapiens (human))
BDBM50164702
PNG
(4-[4-(3H-Benzoimidazol-5-ylamino)-5-trifluoromethy...)
Show SMILES NS(=O)(=O)c1ccc(Nc2ncc(c(Nc3ccc4nc[nH]c4c3)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H14F3N7O2S/c19-18(20,21)13-8-23-17(27-10-1-4-12(5-2-10)31(22,29)30)28-16(13)26-11-3-6-14-15(7-11)25-9-24-14/h1-9H,(H,24,25)(H2,22,29,30)(H2,23,26,27,28)
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n/an/a 0.100n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/cyclin D2


(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


(Homo sapiens (human))
BDBM84533
PNG
(Alsterpaullone derivative, 7)
Show SMILES O=C1Cc2c([nH]c3ccc(cc23)N(=O)=O)-c2cc(CCC#N)ccc2N1
Show InChI InChI=1S/C19H14N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,10H2,(H,21,24)
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n/an/a 0.230n/an/an/an/a7.530



Technische Universität Braunschweig



Assay Description
Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/cyclin D2


(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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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/cyclin D2


(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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US Patent
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/cyclin D2


(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


(Homo sapiens (human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.490n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human CDK1 by kinase inhibition assay


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


(Homo sapiens (human))
BDBM50214095
PNG
(CHEMBL248713 | CHEMBL511394 | N-((5-(3-(5-fluoro-1...)
Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(F)cc4[nH]3)c2c1
Show InChI InChI=1S/C21H18FN7/c1-2-23-8-12-5-13(10-24-9-12)14-6-16-19(28-29-20(16)25-11-14)21-26-17-4-3-15(22)7-18(17)27-21/h3-7,9-11,23H,2,8H2,1H3,(H,26,27)(H,25,28,29)
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n/an/a 0.700n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


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


(Homo sapiens (human))
BDBM50214095
PNG
(CHEMBL248713 | CHEMBL511394 | N-((5-(3-(5-fluoro-1...)
Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(F)cc4[nH]3)c2c1
Show InChI InChI=1S/C21H18FN7/c1-2-23-8-12-5-13(10-24-9-12)14-6-16-19(28-29-20(16)25-11-14)21-26-17-4-3-15(22)7-18(17)27-21/h3-7,9-11,23H,2,8H2,1H3,(H,26,27)(H,25,28,29)
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n/an/a 0.700n/an/an/an/an/an/a



Piramal Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6266
PNG
(8-Cyclopentyl-2-[4-(2-diethylaminoethoxy)phenylami...)
Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C24H31N5O2/c1-3-28(4-2)15-16-31-21-12-10-19(11-13-21)26-24-25-17-18-9-14-22(30)29(23(18)27-24)20-7-5-6-8-20/h9-14,17,20H,3-8,15-16H2,1-2H3,(H,25,26,27)
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n/an/a 0.700n/an/an/an/a7.425



Parke-Davis Pharmaceutical Research



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


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


(Homo sapiens (human))
BDBM50214115
PNG
(CHEMBL429478 | N-((5-(3-(5-methoxy-1H-benzo[d]imid...)
Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(OC)cc4[nH]3)c2c1
Show InChI InChI=1S/C22H21N7O/c1-3-23-9-13-6-14(11-24-10-13)15-7-17-20(28-29-21(17)25-12-15)22-26-18-5-4-16(30-2)8-19(18)27-22/h4-8,10-12,23H,3,9H2,1-2H3,(H,26,27)(H,25,28,29)
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n/an/a 0.800n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


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


(Homo sapiens (human))
BDBM50297122
PNG
((R)-10-Methyl-9,10,11,12-tetrahydro-7-thia-4,9,12-...)
Show SMILES C[C@@H]1CNc2c(sc3ccc4ncccc4c23)C(=O)N1
Show InChI InChI=1S/C15H13N3OS/c1-8-7-17-13-12-9-3-2-6-16-10(9)4-5-11(12)20-14(13)15(19)18-8/h2-6,8,17H,7H2,1H3,(H,18,19)/t8-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/cyclin D2


(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


(Homo sapiens (human))
BDBM50164693
PNG
(CHEMBL194721 | N*2*-(3H-Benzoimidazol-5-yl)-N*4*-(...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccccc1Cl
Show InChI InChI=1S/C18H12ClF3N6/c19-12-3-1-2-4-13(12)27-16-11(18(20,21)22)8-23-17(28-16)26-10-5-6-14-15(7-10)25-9-24-14/h1-9H,(H,24,25)(H2,23,26,27,28)
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n/an/a 0.900n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/cyclin D2


(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/cyclin D2


(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/cyclin D2


(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 (CDK4)


(Homo sapiens (human))
BDBM50001539
PNG
(CHEMBL3237704 | US8841312, 204)
Show SMILES CC1(C)CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
Show InChI InChI=1S/C26H32N8/c1-26(2)8-5-18(6-9-26)34-22-17-28-10-7-20(22)21-16-30-25(32-24(21)34)31-23-4-3-19(15-29-23)33-13-11-27-12-14-33/h3-4,7,10,15-18,27H,5-6,8-9,11-14H2,1-2H3,(H,29,30,31,32)
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6347
PNG
(2-Aminoquinazoline 26 | 8-cyclopentyl-2-{[4-(piper...)
Show SMILES Oc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1
Show InChI InChI=1S/C23H27N5O/c29-20-10-5-17-15-25-23(27-22(17)21(20)16-3-1-2-4-16)26-18-6-8-19(9-7-18)28-13-11-24-12-14-28/h5-10,15-16,24,29H,1-4,11-14H2,(H,25,26,27)
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n/an/a 1n/an/an/an/a7.425



NAEJA Pharmaceutical Inc.



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6341
PNG
(2-Aminoquinazoline 20 | 8-cyclopentyl-7-methoxy-N-...)
Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1
Show InChI InChI=1S/C24H29N5O/c1-30-21-11-6-18-16-26-24(28-23(18)22(21)17-4-2-3-5-17)27-19-7-9-20(10-8-19)29-14-12-25-13-15-29/h6-11,16-17,25H,2-5,12-15H2,1H3,(H,26,27,28)
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n/an/a 1n/an/an/an/a7.425



NAEJA Pharmaceutical Inc.



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


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


(Homo sapiens (human))
BDBM50192071
PNG
((13R,15S)-13-methyl-16-oxa-8,9,12,22,24-pentaazahe...)
Show SMILES C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
Show InChI InChI=1S/C22H21N5O3/c1-12-10-13-11-26(12)8-9-27-22(29)15-5-2-4-14(18(15)25-27)19-21(28)23-16-6-3-7-17(30-13)20(16)24-19/h2-7,12-13,25H,8-11H2,1H3,(H,23,28)/t12-,13+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/cyclin D1


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


(Homo sapiens (human))
BDBM50164693
PNG
(CHEMBL194721 | N*2*-(3H-Benzoimidazol-5-yl)-N*4*-(...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccccc1Cl
Show InChI InChI=1S/C18H12ClF3N6/c19-12-3-1-2-4-13(12)27-16-11(18(20,21)22)8-23-17(28-16)26-10-5-6-14-15(7-10)25-9-24-14/h1-9H,(H,24,25)(H2,23,26,27,28)
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n/an/a 1n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Inhibition of CDK1


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


(Homo sapiens (human))
BDBM50297120
PNG
((R)-9-Methyl-8,9,10,11-tetrahydro-3-oxa-6-thia-8,1...)
Show SMILES C[C@@H]1CNc2c(sc3ccc4occc4c23)C(=O)N1
Show InChI InChI=1S/C14H12N2O2S/c1-7-6-15-12-11-8-4-5-18-9(8)2-3-10(11)19-13(12)14(17)16-7/h2-5,7,15H,6H2,1H3,(H,16,17)/t7-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/cyclin D2


(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 (CDK4)


(Homo sapiens (human))
BDBM50001576
PNG
(CHEMBL3237711)
Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(N4CCC(CC4)N(C)C)c(F)n3)nc12
Show InChI InChI=1S/C28H35FN8/c1-18-4-6-20(7-5-18)37-24-17-30-13-10-21(24)22-16-31-28(34-27(22)37)33-25-9-8-23(26(29)32-25)36-14-11-19(12-15-36)35(2)3/h8-10,13,16-20H,4-7,11-12,14-15H2,1-3H3,(H,31,32,33,34)/t18-,20-
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6348
PNG
(2-Aminoquinazoline 27 | 8-cyclopentyl-2-{[3-fluoro...)
Show SMILES Oc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1
Show InChI InChI=1S/C23H26FN5O/c24-18-13-17(6-7-19(18)29-11-9-25-10-12-29)27-23-26-14-16-5-8-20(30)21(22(16)28-23)15-3-1-2-4-15/h5-8,13-15,25,30H,1-4,9-12H2,(H,26,27,28)
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n/an/a 1n/an/an/an/a7.425



NAEJA Pharmaceutical Inc.



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/cyclin D2


(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/cyclin D2


(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/cyclin D2


(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/cyclin D2


(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/cyclin D2


(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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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


(Homo sapiens (human))
BDBM50400801
PNG
(CHEMBL215803)
Show SMILES C[C@@H]1C[C@H]2CN1CCn1nc3c(cccc3c1O)-c1nc3c(O2)cccc3nc1O
Show InChI InChI=1S/C22H21N5O3/c1-12-10-13-11-26(12)8-9-27-22(29)15-5-2-4-14(18(15)25-27)19-21(28)23-16-6-3-7-17(30-13)20(16)24-19/h2-7,12-13,25H,8-11H2,1H3,(H,23,28)/t12-,13+/m1/s1
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Universite£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/cyclin D2


(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


(Homo sapiens (human))
BDBM50214108
PNG
(CHEMBL248712 | N-((5-(3-(5,6-difluoro-1H-benzo[d]i...)
Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4cc(F)c(F)cc4[nH]3)c2c1
Show InChI InChI=1S/C21H17F2N7/c1-2-24-7-11-3-12(9-25-8-11)13-4-14-19(29-30-20(14)26-10-13)21-27-17-5-15(22)16(23)6-18(17)28-21/h3-6,8-10,24H,2,7H2,1H3,(H,27,28)(H,26,29,30)
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n/an/a 1.10n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/cyclin D2


(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/cyclin D2


(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/cyclin D2


(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/cyclin D2


(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/cyclin D2


(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/cyclin D2


(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/cyclin D2


(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/cyclin D2


(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/cyclin D2


(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/cyclin D2


(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/cyclin D2


(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/cyclin D2


(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/cyclin D2


(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/cyclin D2


(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
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