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Compile Data Set for Download or QSAR

Found 95 hits Enz. Inhib. hit(s) with all data for entry = 50046944   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50110183
PNG
(ABEMACICLIB | Abemaciclib | LY-2835219)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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n/an/a 5n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7649
PNG
(2,4-bisanilinopyrimidine deriv. 9 | 4-({4-[(2-fluo...)
Show SMILES Cc1ccc(F)c(Nc2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)c1
Show InChI InChI=1S/C17H16FN5O2S/c1-11-2-7-14(18)15(10-11)22-16-8-9-20-17(23-16)21-12-3-5-13(6-4-12)26(19,24)25/h2-10H,1H3,(H2,19,24,25)(H2,20,21,22,23)
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n/an/a 6n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50146924
PNG
(CHEMBL3765826)
Show SMILES Oc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)NNC(=O)c4ccccc4O)c3C(=O)c12
Show InChI InChI=1S/C24H17N5O5/c30-13-10-8-12(9-11-13)20-19-21(27-26-20)15-5-3-6-16(18(15)22(19)32)25-24(34)29-28-23(33)14-4-1-2-7-17(14)31/h1-11,30-31H,(H,26,27)(H,28,33)(H2,25,29,34)
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n/an/a 8.90n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50186373
PNG
(CHEMBL424696 | N-(5-(2-(cyclohexyloxy)pyrimidin-4-...)
Show SMILES C1CCC(CC1)Oc1nccc(n1)-c1cnc(Nc2ccccn2)s1
Show InChI InChI=1S/C18H19N5OS/c1-2-6-13(7-3-1)24-17-20-11-9-14(22-17)15-12-21-18(25-15)23-16-8-4-5-10-19-16/h4-5,8-13H,1-3,6-7H2,(H,19,21,23)
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n/an/a 14n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50146925
PNG
(CHEMBL3765564)
Show SMILES NC(=O)C(=O)NNC(=O)Nc1cccc2-c3n[nH]c(c3C(=O)c12)-c1ccc(O)cc1
Show InChI InChI=1S/C19H14N6O5/c20-17(28)18(29)24-25-19(30)21-11-3-1-2-10-12(11)16(27)13-14(22-23-15(10)13)8-4-6-9(26)7-5-8/h1-7,26H,(H2,20,28)(H,22,23)(H,24,29)(H2,21,25,30)
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n/an/a 19n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7646
PNG
(CHEMBL102926 | Imidazo[1,2-a]pyridine deriv. 6 | N...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)-c2c(C)nc3ccccn23)cc1
Show InChI InChI=1S/C23H26N6O2/c1-16-22(29-13-5-4-6-21(29)25-16)20-11-12-24-23(27-20)26-17-7-9-19(10-8-17)31-15-18(30)14-28(2)3/h4-13,18,30H,14-15H2,1-3H3,(H,24,26,27)
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n/an/a 32n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM50146929
PNG
(CHEMBL3765805)
Show SMILES CC(C)[C@H](CO)Nc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H27ClN6O/c1-12(2)16(10-28)24-20-25-18(22-9-14-5-7-15(21)8-6-14)17-19(26-20)27(11-23-17)13(3)4/h5-8,11-13,16,28H,9-10H2,1-4H3,(H2,22,24,25,26)/t16-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7645
PNG
(4-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-phenylpyr...)
Show SMILES Cc1nc2ccccn2c1-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C18H15N5/c1-13-17(23-12-6-5-9-16(23)20-13)15-10-11-19-18(22-15)21-14-7-3-2-4-8-14/h2-12H,1H3,(H,19,21,22)
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n/an/a 36n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50146926
PNG
(CHEMBL3763230)
Show SMILES Nc1ccc(CC(=O)Nc2cccc3-c4n[nH]c(c4C(=O)c23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C24H18N4O3/c25-15-8-4-13(5-9-15)12-19(30)26-18-3-1-2-17-20(18)24(31)21-22(27-28-23(17)21)14-6-10-16(29)11-7-14/h1-11,29H,12,25H2,(H,26,30)(H,27,28)
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n/an/a 38n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6276
PNG
(8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C23H28N6O/c1-27-12-14-28(15-13-27)19-9-7-18(8-10-19)25-23-24-16-17-6-11-21(30)29(22(17)26-23)20-4-2-3-5-20/h6-11,16,20H,2-5,12-15H2,1H3,(H,24,25,26)
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n/an/a 39n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50139171
PNG
(DINACICLIB | Dinaciclib | MK-7965 | SCH-727965)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35NCK (unknown origin) using histone H1 as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM50139171
PNG
(DINACICLIB | Dinaciclib | MK-7965 | SCH-727965)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50139171
PNG
(DINACICLIB | Dinaciclib | MK-7965 | SCH-727965)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 127n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM59097
PNG
(Aminopyrimidine, 10)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
Show InChI InChI=1S/C19H23N7S/c1-13-17(27-19(20-2)23-13)16-7-8-22-18(25-16)24-14-3-5-15(6-4-14)26-11-9-21-10-12-26/h3-8,21H,9-12H2,1-2H3,(H,20,23)(H,22,24,25)
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n/an/a 219n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6356
PNG
(8-Cyclopentyl-2-(4-piperidin-1-yl-phenylamino)-8H-...)
Show SMILES O=c1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H27N5O/c29-21-13-8-17-16-24-23(26-22(17)28(21)20-6-2-3-7-20)25-18-9-11-19(12-10-18)27-14-4-1-5-15-27/h8-13,16,20H,1-7,14-15H2,(H,24,25,26)
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n/an/a 245n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(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 251n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(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 324n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM50110183
PNG
(ABEMACICLIB | Abemaciclib | LY-2835219)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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n/an/a 371n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50110183
PNG
(ABEMACICLIB | Abemaciclib | LY-2835219)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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n/an/a 405n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35NCK (unknown origin) using histone H1 as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 708n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM6837
PNG
(indolocarbazole deriv. 13a | methyl 1-(2-{18-methy...)
Show SMILES COC(=O)C1CCN(CCc2cccc3c2[nH]c2c3c3C(=O)NC(=O)c3c3c4n(C)ccc4ccc23)CC1
Show InChI InChI=1S/C30H28N4O4/c1-33-12-8-17-6-7-20-22(27(17)33)24-23(28(35)32-29(24)36)21-19-5-3-4-16(25(19)31-26(20)21)9-13-34-14-10-18(11-15-34)30(37)38-2/h3-8,12,18,31H,9-11,13-15H2,1-2H3,(H,32,35,36)
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n/an/a 977n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50146854
PNG
(CHEMBL3764692)
Show SMILES O=C(Cn1nncc1-c1c[nH]c2ncccc12)c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H13N7O/c26-16(14-8-22-18-12(14)4-2-6-20-18)10-25-15(9-23-24-25)13-7-21-17-11(13)3-1-5-19-17/h1-9H,10H2,(H,19,21)(H,20,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM59095
PNG
(Aminopyrimidine, 7)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
Show InChI InChI=1S/C20H24N6S/c1-14-19(27-15(2)22-14)18-8-9-21-20(24-18)23-16-4-6-17(7-5-16)26-12-10-25(3)11-13-26/h4-9H,10-13H2,1-3H3,(H,21,23,24)
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n/an/a 1.02E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6842
PNG
(18-methyl-5-[2-(piperidin-1-yl)ethyl]-3,13,18-tria...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCCCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C28H26N4O2/c1-31-14-10-17-8-9-19-21(26(17)31)23-22(27(33)30-28(23)34)20-18-7-5-6-16(24(18)29-25(19)20)11-15-32-12-3-2-4-13-32/h5-10,14,29H,2-4,11-13,15H2,1H3,(H,30,33,34)
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n/an/a 1.07E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6792
PNG
(7,18-dimethyl-3,13,18-triazahexacyclo[14.7.0.0^{2,...)
Show SMILES Cc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5n(C)ccc5ccc34)c2c1
Show InChI InChI=1S/C22H15N3O2/c1-10-3-6-14-13(9-10)15-17-18(22(27)24-21(17)26)16-12(19(15)23-14)5-4-11-7-8-25(2)20(11)16/h3-9,23H,1-2H3,(H,24,26,27)
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n/an/a 1.07E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50146854
PNG
(CHEMBL3764692)
Show SMILES O=C(Cn1nncc1-c1c[nH]c2ncccc12)c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H13N7O/c26-16(14-8-22-18-12(14)4-2-6-20-18)10-25-15(9-23-24-25)13-7-21-17-11(13)3-1-5-19-17/h1-9H,10H2,(H,19,21)(H,20,22)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7007
PNG
(Indenopyrazole deriv. 6 | N-[3-(4-methoxyphenyl)-4...)
Show SMILES COc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)C(C)C)c3C(=O)c12
Show InChI InChI=1S/C21H19N3O3/c1-11(2)21(26)22-15-6-4-5-14-16(15)20(25)17-18(23-24-19(14)17)12-7-9-13(27-3)10-8-12/h4-11H,1-3H3,(H,22,26)(H,23,24)
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n/an/a 1.41E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50146847
PNG
(CHEMBL3765144)
Show SMILES C(c1cc2cccnc2[nH]1)n1cc(nn1)-c1cc2cccnc2[nH]1
Show InChI InChI=1S/C17H13N7/c1-3-11-7-13(20-16(11)18-5-1)9-24-10-15(22-23-24)14-8-12-4-2-6-19-17(12)21-14/h1-8,10H,9H2,(H,18,20)(H,19,21)
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50146847
PNG
(CHEMBL3765144)
Show SMILES C(c1cc2cccnc2[nH]1)n1cc(nn1)-c1cc2cccnc2[nH]1
Show InChI InChI=1S/C17H13N7/c1-3-11-7-13(20-16(11)18-5-1)9-24-10-15(22-23-24)14-8-12-4-2-6-19-17(12)21-14/h1-8,10H,9H2,(H,18,20)(H,19,21)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50139169
PNG
(CHEMBL3763161)
Show SMILES C(Cc1c[nH]c2ncccc12)Cn1nncc1-c1cc2cccnc2[nH]1
Show InChI InChI=1S/C19H17N7/c1-4-13-10-16(24-18(13)20-7-1)17-12-23-25-26(17)9-3-5-14-11-22-19-15(14)6-2-8-21-19/h1-2,4,6-8,10-12H,3,5,9H2,(H,20,24)(H,21,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50139169
PNG
(CHEMBL3763161)
Show SMILES C(Cc1c[nH]c2ncccc12)Cn1nncc1-c1cc2cccnc2[nH]1
Show InChI InChI=1S/C19H17N7/c1-4-13-10-16(24-18(13)20-7-1)17-12-23-25-26(17)9-3-5-14-11-22-19-15(14)6-2-8-21-19/h1-2,4,6-8,10-12H,3,5,9H2,(H,20,24)(H,21,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6832
PNG
(3-[3-(4-hydroxypiperidin-1-yl)propyl]-6-methoxy-18...)
Show SMILES COc1ccc2c(c1)n(CCCN1CCC(O)CC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C30H30N4O4/c1-32-13-8-17-4-6-21-24(27(17)32)26-25(29(36)31-30(26)37)23-20-7-5-19(38-2)16-22(20)34(28(21)23)12-3-11-33-14-9-18(35)10-15-33/h4-8,13,16,18,35H,3,9-12,14-15H2,1-2H3,(H,31,36,37)
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n/an/a 2.09E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50146834
PNG
(CHEMBL3764802)
Show SMILES C(Cc1c[nH]c2ncccc12)Cn1nncc1-c1c[nH]c2ncccc12
Show InChI InChI=1S/C19H17N7/c1-5-14-13(10-22-18(14)20-7-1)4-3-9-26-17(12-24-25-26)16-11-23-19-15(16)6-2-8-21-19/h1-2,5-8,10-12H,3-4,9H2,(H,20,22)(H,21,23)
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n/an/a 2.51E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6330
PNG
(2-Aminoquinazoline 8 | N-[4-(3-aminopyrrolidin-1-y...)
Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCC(N)C3)nc2c1C(C)C
Show InChI InChI=1S/C22H27N5O/c1-14(2)20-19(28-3)9-4-15-12-24-22(26-21(15)20)25-17-5-7-18(8-6-17)27-11-10-16(23)13-27/h4-9,12,14,16H,10-11,13,23H2,1-3H3,(H,24,25,26)
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n/an/a 2.57E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50146834
PNG
(CHEMBL3764802)
Show SMILES C(Cc1c[nH]c2ncccc12)Cn1nncc1-c1c[nH]c2ncccc12
Show InChI InChI=1S/C19H17N7/c1-5-14-13(10-22-18(14)20-7-1)4-3-9-26-17(12-24-25-26)16-11-23-19-15(16)6-2-8-21-19/h1-2,5-8,10-12H,3-4,9H2,(H,20,22)(H,21,23)
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7642
PNG
(Imidazo[1,2-a]pyridine deriv. 2 | N-(4-{2-methylim...)
Show SMILES CC(=O)Nc1nccc(n1)-c1c(C)nc2ccccn12
Show InChI InChI=1S/C14H13N5O/c1-9-13(19-8-4-3-5-12(19)16-9)11-6-7-15-14(18-11)17-10(2)20/h3-8H,1-2H3,(H,15,17,18,20)
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n/an/a 2.88E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM6786
PNG
(8-bromo-18-methyl-3,13,18-triazahexacyclo[14.7.0.0...)
Show SMILES Cn1ccc2ccc3c4[nH]c5cccc(Br)c5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C21H12BrN3O2/c1-25-8-7-9-5-6-10-13(19(9)25)16-17(21(27)24-20(16)26)15-14-11(22)3-2-4-12(14)23-18(10)15/h2-8,23H,1H3,(H,24,26,27)
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n/an/a 2.88E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50146927
PNG
(CHEMBL3763765)
Show SMILES O=C(Cn1nncc1-c1cc2cccnc2[nH]1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H13N7O/c26-16(13-8-21-18-12(13)4-2-6-20-18)10-25-15(9-22-24-25)14-7-11-3-1-5-19-17(11)23-14/h1-9H,10H2,(H,19,23)(H,20,21)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50013510
PNG
(CHEMBL3263773)
Show SMILES COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1
Show InChI InChI=1S/C18H18N4O3S/c1-25-17-8-3-2-7-15(17)16-10-18(21-12-20-16)22-14-6-4-5-13(9-14)11-26(19,23)24/h2-10,12H,11H2,1H3,(H2,19,23,24)(H,20,21,22)
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n/an/a 3.16E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50146927
PNG
(CHEMBL3763765)
Show SMILES O=C(Cn1nncc1-c1cc2cccnc2[nH]1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H13N7O/c26-16(13-8-21-18-12(13)4-2-6-20-18)10-25-15(9-22-24-25)14-7-11-3-1-5-19-17(11)23-14/h1-9H,10H2,(H,19,23)(H,20,21)
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n/an/a 3.16E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50146912
PNG
(CHEMBL3763223)
Show SMILES O=C(CCn1cc(nn1)-c1cc2cccnc2[nH]1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C19H15N7O/c27-17(14-10-22-19-13(14)4-2-7-21-19)5-8-26-11-16(24-25-26)15-9-12-3-1-6-20-18(12)23-15/h1-4,6-7,9-11H,5,8H2,(H,20,23)(H,21,22)
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50347389
PNG
(CHEMBL1801932)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
Show InChI InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35NCK (unknown origin) using histone H1 as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM50013510
PNG
(CHEMBL3263773)
Show SMILES COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1
Show InChI InChI=1S/C18H18N4O3S/c1-25-17-8-3-2-7-15(17)16-10-18(21-12-20-16)22-14-6-4-5-13(9-14)11-26(19,23)24/h2-10,12H,11H2,1H3,(H2,19,23,24)(H,20,21,22)
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n/an/a 3.95E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50146912
PNG
(CHEMBL3763223)
Show SMILES O=C(CCn1cc(nn1)-c1cc2cccnc2[nH]1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C19H15N7O/c27-17(14-10-22-19-13(14)4-2-7-21-19)5-8-26-11-16(24-25-26)15-9-12-3-1-6-20-18(12)23-15/h1-4,6-7,9-11H,5,8H2,(H,20,23)(H,21,22)
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n/an/a 3.98E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6332
PNG
(2-Aminoquinazoline 10 | 7-methoxy-N-[4-(morpholin-...)
Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C(C)C
Show InChI InChI=1S/C22H26N4O2/c1-15(2)20-19(27-3)9-4-16-14-23-22(25-21(16)20)24-17-5-7-18(8-6-17)26-10-12-28-13-11-26/h4-9,14-15H,10-13H2,1-3H3,(H,23,24,25)
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n/an/a 4.37E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50013510
PNG
(CHEMBL3263773)
Show SMILES COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1
Show InChI InChI=1S/C18H18N4O3S/c1-25-17-8-3-2-7-15(17)16-10-18(21-12-20-16)22-14-6-4-5-13(9-14)11-26(19,23)24/h2-10,12H,11H2,1H3,(H2,19,23,24)(H,20,21,22)
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n/an/a 4.96E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35NCK (unknown origin) using histone H1 as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50146917
PNG
(CHEMBL3764179)
Show SMILES C(Cc1c[nH]c2ncccc12)Cn1cc(nn1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C19H17N7/c1-5-14-13(10-22-18(14)20-7-1)4-3-9-26-12-17(24-25-26)16-11-23-19-15(16)6-2-8-21-19/h1-2,5-8,10-12H,3-4,9H2,(H,20,22)(H,21,23)
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50146917
PNG
(CHEMBL3764179)
Show SMILES C(Cc1c[nH]c2ncccc12)Cn1cc(nn1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C19H17N7/c1-5-14-13(10-22-18(14)20-7-1)4-3-9-26-12-17(24-25-26)16-11-23-19-15(16)6-2-8-21-19/h1-2,5-8,10-12H,3-4,9H2,(H,20,22)(H,21,23)
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n/an/a 6.31E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8037
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 8 | 4-...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(N)n1
Show InChI InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)
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n/an/a 6.46E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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