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PubMed code 14552791

Compile data set for download or QSAR
Found 35 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
CaM kinase II


(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 |r|
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 2n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(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 |r|
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 7n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibition of Cyclin E-cyclin-dependent kinase 2


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/Cyclin E/G1/S-specific cyclin E2


(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 |r|
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 12n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(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 |r|
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 12n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(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 |r|
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 16n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CaM kinase II


(Homo sapiens (Human))
BDBM2672
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)
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n/an/a 25n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibition of Cyclin E-cyclin-dependent kinase 2


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM14187
PNG
(3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3ccccc3c21
Show InChI InChI=1S/C22H12N2O2/c25-21-18-16-12-6-2-1-5-11(12)9-10-14(16)20-17(19(18)22(26)24-21)13-7-3-4-8-15(13)23-20/h1-10,23H,(H,24,25,26)
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n/an/a 45n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(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 |r|
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 59n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibition of Cyclin B-cyclin-dependent kinase 1


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM2672
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)
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n/an/a 140n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50134579
PNG
(11H-3-Thia-5,11-diaza-benzo[a]trindene-4,6-dione |...)
Show SMILES O=C1NC(=O)c2c1c1sccc1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C16H8N2O2S/c19-15-11-10-7-3-1-2-4-9(7)17-13(10)8-5-6-21-14(8)12(11)16(20)18-15/h1-6,17H,(H,18,19,20)
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n/an/a 150n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50134578
PNG
(1,2,3,8-tetrahydropyrido[3,2-a]pyrrolo[4,3-c]carba...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1cccnc21
Show InChI InChI=1S/C17H9N3O2/c21-16-12-11-8-4-1-2-6-10(8)19-15(11)9-5-3-7-18-14(9)13(12)17(22)20-16/h1-7,19H,(H,20,21,22)
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n/an/a 180n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
CaM kinase II


(Homo sapiens (Human))
BDBM2581
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)
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n/an/a 184n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM14188
PNG
(3-thia-13,23-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21
Show InChI InChI=1S/C20H10N2O2S/c23-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(24)22-19)10-6-2-4-8-12(10)25-18/h1-8,21H,(H,22,23,24)
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n/an/a 220n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50134576
PNG
(6,7,12,13-tetrahydro-5H-pyrido[3',2':4,5]pyrrolo[2...)
Show SMILES O=C1NC(=O)c2c1c1c3ccc[nH]c3nc1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C19H8N4O2/c24-18-13-11-8-4-1-2-6-10(8)21-15(11)16-12(14(13)19(25)23-18)9-5-3-7-20-17(9)22-16/h1-7H,(H,23,24,25)
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n/an/a 250n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50134580
PNG
(1,2,3,8-tetrahydro-benzo[a]pyrrolo[3,4-c]carbazole...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccccc21
Show InChI InChI=1S/C18H10N2O2/c21-17-14-9-5-1-2-6-10(9)16-13(15(14)18(22)20-17)11-7-3-4-8-12(11)19-16/h1-8,19H,(H,20,21,22)
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n/an/a 260n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibition of Cyclin E-cyclin-dependent kinase 2


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens (Human))
BDBM14187
PNG
(3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3ccccc3c21
Show InChI InChI=1S/C22H12N2O2/c25-21-18-16-12-6-2-1-5-11(12)9-10-14(16)20-17(19(18)22(26)24-21)13-7-3-4-8-15(13)23-20/h1-10,23H,(H,24,25,26)
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n/an/a 275n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50134577
PNG
(1,2,3,4,5,6,7,12-octahydronaphtho[2,1-a]pyrrolo[4,...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3CCCCc3c21
Show InChI InChI=1S/C22H16N2O2/c25-21-18-16-12-6-2-1-5-11(12)9-10-14(16)20-17(19(18)22(26)24-21)13-7-3-4-8-15(13)23-20/h3-4,7-10,23H,1-2,5-6H2,(H,24,25,26)
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n/an/a 410n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50134575
PNG
(7,8,9,14-tetrahydronaphtho[1,2-a]pyrrolo[4,3-c]car...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2ccc2ccccc12
Show InChI InChI=1S/C22H12N2O2/c25-21-18-14-10-9-11-5-1-2-6-12(11)16(14)20-17(19(18)22(26)24-21)13-7-3-4-8-15(13)23-20/h1-10,23H,(H,24,25,26)
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n/an/a 430n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM14187
PNG
(3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3ccccc3c21
Show InChI InChI=1S/C22H12N2O2/c25-21-18-16-12-6-2-1-5-11(12)9-10-14(16)20-17(19(18)22(26)24-21)13-7-3-4-8-15(13)23-20/h1-10,23H,(H,24,25,26)
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n/an/a 590n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50216165
PNG
(1,11-dihydro-1,3,5,11-tetraaza-benzo[a]trindene-4,...)
Show SMILES O=C1NC(=O)c2c1c1[nH]cnc1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C15H8N4O2/c20-14-9-8-6-3-1-2-4-7(6)18-12(8)13-11(16-5-17-13)10(9)15(21)19-14/h1-5,18H,(H,16,17)(H,19,20,21)
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n/an/a 740n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM2581
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)
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n/an/a 830n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens (Human))
BDBM2672
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)
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n/an/a 900n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibition of Cyclin B-cyclin-dependent kinase 1


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens (Human))
BDBM2581
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM2672
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50134582
PNG
(1,2,3,8-tetrahydropyrido[3,4-a]pyrrolo[4,3-c]carba...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1cnccc21
Show InChI InChI=1S/C17H9N3O2/c21-16-13-8-5-6-18-7-10(8)15-12(14(13)17(22)20-16)9-3-1-2-4-11(9)19-15/h1-7,19H,(H,20,21,22)
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n/an/a 1.81E+3n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibition of Cyclin E-cyclin-dependent kinase 2


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM2672
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM2581
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50054426
PNG
(7-hydroxy-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyr...)
Show SMILES OC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H13N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,19,21-22,24H,(H,23,25)
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n/an/a 3.83E+3n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibition of Cyclin B-cyclin-dependent kinase 1


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM14187
PNG
(3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3ccccc3c21
Show InChI InChI=1S/C22H12N2O2/c25-21-18-16-12-6-2-1-5-11(12)9-10-14(16)20-17(19(18)22(26)24-21)13-7-3-4-8-15(13)23-20/h1-10,23H,(H,24,25,26)
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n/an/a 4.38E+3n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM14187
PNG
(3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3ccccc3c21
Show InChI InChI=1S/C22H12N2O2/c25-21-18-16-12-6-2-1-5-11(12)9-10-14(16)20-17(19(18)22(26)24-21)13-7-3-4-8-15(13)23-20/h1-10,23H,(H,24,25,26)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50134581
PNG
(5,6,7,14-tetrahydronaphtho[3,2-a]pyrrolo[4,3-c]car...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1cc3ccccc3cc21
Show InChI InChI=1S/C22H12N2O2/c25-21-18-14-9-11-5-1-2-6-12(11)10-15(14)20-17(19(18)22(26)24-21)13-7-3-4-8-16(13)23-20/h1-10,23H,(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM14187
PNG
(3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3ccccc3c21
Show InChI InChI=1S/C22H12N2O2/c25-21-18-16-12-6-2-1-5-11(12)9-10-14(16)20-17(19(18)22(26)24-21)13-7-3-4-8-15(13)23-20/h1-10,23H,(H,24,25,26)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM14187
PNG
(3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3ccccc3c21
Show InChI InChI=1S/C22H12N2O2/c25-21-18-16-12-6-2-1-5-11(12)9-10-14(16)20-17(19(18)22(26)24-21)13-7-3-4-8-15(13)23-20/h1-10,23H,(H,24,25,26)
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n/an/a 5.28E+4n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C alpha


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM14187
PNG
(3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3ccccc3c21
Show InChI InChI=1S/C22H12N2O2/c25-21-18-16-12-6-2-1-5-11(12)9-10-14(16)20-17(19(18)22(26)24-21)13-7-3-4-8-15(13)23-20/h1-10,23H,(H,24,25,26)
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n/an/a 5.65E+4n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C gamma


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM2672
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%