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Compile Data Set for Download or QSAR

Found 1757 hits of ic50 data for polymerid = 796   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50263148
PNG
(CHEMBL476578 | N-((R)-1-(4-(5-fluoro-4-(1-isopropy...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CC[C@H](C2)NC(C)=O)ncc1F
Show InChI InChI=1S/C23H28FN7O/c1-14(2)31-15(3)25-12-21(31)22-20(24)11-26-23(29-22)28-17-5-7-19(8-6-17)30-10-9-18(13-30)27-16(4)32/h5-8,11-12,14,18H,9-10,13H2,1-4H3,(H,27,32)(H,26,28,29)/t18-/m1/s1
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n/an/a>0.300n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 4442-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.027
BindingDB Entry DOI: 10.7270/Q24749PG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(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 human CDK2 by HTRF assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(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 0.360n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclinA


J Med Chem 52: 3191-204 (2009)


Article DOI: 10.1021/jm800861c
BindingDB Entry DOI: 10.7270/Q23J3DWT
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50263147
PNG
(CHEMBL476577 | N-(1-(4-(5-fluoro-4-(1-isopropyl-2-...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CC(C2)NC(C)=O)ncc1F
Show InChI InChI=1S/C22H26FN7O/c1-13(2)30-14(3)24-10-20(30)21-19(23)9-25-22(28-21)27-16-5-7-18(8-6-16)29-11-17(12-29)26-15(4)31/h5-10,13,17H,11-12H2,1-4H3,(H,26,31)(H,25,27,28)
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n/an/a 0.5n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 4442-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.027
BindingDB Entry DOI: 10.7270/Q24749PG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(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 0.600n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 2 (CDK2/cyclin A)


Bioorg Med Chem Lett 10: 461-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00014-7
BindingDB Entry DOI: 10.7270/Q2DJ5G5S
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50235359
PNG
(CHEMBL4088242)
Show SMILES CC[C@@H](C)Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(N)c1C=O
Show InChI InChI=1S/C15H19N5O4S/c1-3-9(2)24-14-12(8-21)13(16)19-15(20-14)18-10-4-6-11(7-5-10)25(17,22)23/h4-9H,3H2,1-2H3,(H2,17,22,23)(H3,16,18,19,20)/t9-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(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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University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated Histone H1 as substrate after 1...


J Med Chem 59: 8667-8684 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50321580
PNG
(1-(3-aminopropyl)-8-(phenylamino)-4,5-dihydro-1H-p...)
Show SMILES NCCCn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C19H21N7O/c20-9-4-10-26-17-14(16(25-26)18(21)27)8-7-12-11-22-19(24-15(12)17)23-13-5-2-1-3-6-13/h1-3,5-6,11H,4,7-10,20H2,(H2,21,27)(H,22,23,24)
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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 CDK2


Bioorg Med Chem Lett 20: 4095-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.070
BindingDB Entry DOI: 10.7270/Q2NP25C5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246406
PNG
(2-fluoro-4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-im...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)NC3CCN(C)CC3)c(F)c2)ncc1F
Show InChI InChI=1S/C24H29F2N7O/c1-14(2)33-15(3)27-13-21(33)22-20(26)12-28-24(31-22)30-17-5-6-18(19(25)11-17)23(34)29-16-7-9-32(4)10-8-16/h5-6,11-14,16H,7-10H2,1-4H3,(H,29,34)(H,28,30,31)
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50263028
PNG
(4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimi...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1
Show InChI InChI=1S/C20H26N6O3S/c1-14(2)26-15(3)22-13-19(26)18-9-10-21-20(25-18)24-16-5-7-17(8-6-16)30(27,28)23-11-12-29-4/h5-10,13-14,23H,11-12H2,1-4H3,(H,21,24,25)
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7657
PNG
(4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22)
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 21: 4698-701 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.093
BindingDB Entry DOI: 10.7270/Q2GF0TVK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(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 1n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Nat Rev Drug Discov 16: 424-440 (2017)


Article DOI: 10.1038/nrd.2016.266
BindingDB Entry DOI: 10.7270/Q2125VNC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(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 1n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Inhibition of CDK2


AAPS J 8: 204-21 (2006)


Article DOI: 10.1208/aapsj080125
BindingDB Entry DOI: 10.7270/Q2TX3GBS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7692
PNG
(4-[N -(4-Isobutyl-2-oxo-1,2-dihydro-indol-3-yliden...)
Show SMILES CC(C)Cc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12
Show InChI InChI=1S/C18H20N4O3S/c1-11(2)10-12-4-3-5-15-16(12)17(18(23)20-15)22-21-13-6-8-14(9-7-13)26(19,24)25/h3-9,11,21H,10H2,1-2H3,(H2,19,24,25)(H,20,22,23)
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n/an/a 1.20n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7692
PNG
(4-[N -(4-Isobutyl-2-oxo-1,2-dihydro-indol-3-yliden...)
Show SMILES CC(C)Cc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12
Show InChI InChI=1S/C18H20N4O3S/c1-11(2)10-12-4-3-5-15-16(12)17(18(23)20-15)22-21-13-6-8-14(9-7-13)26(19,24)25/h3-9,11,21H,10H2,1-2H3,(H2,19,24,25)(H,20,22,23)
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n/an/a 1.20n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human cyclin dependent kinase 2


J Med Chem 47: 2534-49 (2004)


Article DOI: 10.1021/jm0304358
BindingDB Entry DOI: 10.7270/Q2KH0P3P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(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 1.40n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 52: 1853-63 (2009)


Article DOI: 10.1021/jm801317h
BindingDB Entry DOI: 10.7270/Q24M94FZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7746
PNG
(4-({[(3Z)-4-oxo-5,10-diazatricyclo[7.4.0.0^{2,6}]t...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=Cc1c2c(ccc3[nH]cccc23)[nH]c1=O
Show InChI InChI=1S/C18H14N4O3S/c19-26(24,25)12-5-3-11(4-6-12)21-10-14-17-13-2-1-9-20-15(13)7-8-16(17)22-18(14)23/h1-10,20H,(H,22,23)(H2,19,24,25)
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University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7693
PNG
(4-{2-[(3Z)-4-(2-methylprop-1-en-1-yl)-2-oxo-2,3-di...)
Show SMILES CC(C)=Cc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12
Show InChI InChI=1S/C18H18N4O3S/c1-11(2)10-12-4-3-5-15-16(12)17(18(23)20-15)22-21-13-6-8-14(9-7-13)26(19,24)25/h3-10,21H,1-2H3,(H2,19,24,25)(H,20,22,23)
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University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7693
PNG
(4-{2-[(3Z)-4-(2-methylprop-1-en-1-yl)-2-oxo-2,3-di...)
Show SMILES CC(C)=Cc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12
Show InChI InChI=1S/C18H18N4O3S/c1-11(2)10-12-4-3-5-15-16(12)17(18(23)20-15)22-21-13-6-8-14(9-7-13)26(19,24)25/h3-10,21H,1-2H3,(H2,19,24,25)(H,20,22,23)
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n/an/a 1.5n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human cyclin dependent kinase 2


J Med Chem 47: 2534-49 (2004)


Article DOI: 10.1021/jm0304358
BindingDB Entry DOI: 10.7270/Q2KH0P3P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7745
PNG
(4-[N -2-Oxo-2,3-dihydropyrrolo[3,2-f]quinolin-1-yl...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH]cccc23)[nH]c1=O
Show InChI InChI=1S/C17H13N5O3S/c18-26(24,25)11-5-3-10(4-6-11)21-22-16-15-12-2-1-9-19-13(12)7-8-14(15)20-17(16)23/h1-9,19H,(H,20,23)(H2,18,24,25)
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n/an/a 1.60n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7727
PNG
((3Z)-N-[(2,6-dimethoxyphenyl)methyl]-2-oxo-3-[2-(4...)
Show SMILES COc1cccc(OC)c1CNC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C24H23N5O6S/c1-34-20-4-3-5-21(35-2)18(20)13-26-23(30)14-6-11-19-17(12-14)22(24(31)27-19)29-28-15-7-9-16(10-8-15)36(25,32)33/h3-12,28H,13H2,1-2H3,(H,26,30)(H2,25,32,33)(H,27,29,31)
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n/an/a 1.70n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7719
PNG
(4-({[(3Z)-5-(3-methylbutanoyl)-2-oxo-2,3-dihydro-1...)
Show SMILES CC(C)CC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C20H21N3O4S/c1-12(2)9-19(24)13-3-8-18-16(10-13)17(20(25)23-18)11-22-14-4-6-15(7-5-14)28(21,26)27/h3-8,10-12,17H,9H2,1-2H3,(H,23,25)(H2,21,26,27)
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n/an/a 1.90n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50245913
PNG
((4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrim...)
Show SMILES CN[C@H]1CCN(C1)C(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1
Show InChI InChI=1S/C23H29N7O/c1-15(2)30-16(3)26-13-21(30)20-9-11-25-23(28-20)27-18-7-5-17(6-8-18)22(31)29-12-10-19(14-29)24-4/h5-9,11,13,15,19,24H,10,12,14H2,1-4H3,(H,25,27,28)/t19-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM2546
PNG
(US8507510, 1.42)
Show SMILES C[C@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O
Show InChI InChI=1S/C16H22BrN5O2S/c1-10(16(2,3)23)20-14-13(17)9-19-15(22-14)21-11-5-7-12(8-6-11)25(4,18)24/h5-10,18,23H,1-4H3,(H2,19,20,21,22)/t10-,25?/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Kinase assay using either CDK1, CDK2 or VEGFR-2.


US Patent US8507510 (2013)


BindingDB Entry DOI: 10.7270/Q2V69H76
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM2544
PNG
(US8507510, 1.23 | US8507510, 1.41)
Show SMILES COc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O
Show InChI InChI=1S/C17H24BrN5O3S/c1-10(17(2,3)24)21-15-12(18)9-20-16(23-15)22-11-6-7-14(27(5,19)25)13(8-11)26-4/h6-10,19,24H,1-5H3,(H2,20,21,22,23)/t10-,27?/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Kinase assay using either CDK1, CDK2 or VEGFR-2.


US Patent US8507510 (2013)


BindingDB Entry DOI: 10.7270/Q2V69H76
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8364
PNG
(CHEMBL260416 | N-[6-(3-bromo-4-hydroxyphenyl)-1H-p...)
Show SMILES Oc1ccc(cc1Br)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
Show InChI InChI=1S/C16H13BrN4O2/c17-11-7-9(3-6-13(11)22)12-5-4-10-14(18-12)20-21-15(10)19-16(23)8-1-2-8/h3-8,22H,1-2H2,(H2,18,19,20,21,23)
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n/an/a 2n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM6866
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
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n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 16: 3639-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.071
BindingDB Entry DOI: 10.7270/Q2CN73H6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50021708
PNG
(CHEMBL3298199)
Show SMILES C[C@@H](NC(=O)N1CCc2cnc(N[C@H]3CCO[C@@H](CO)C3)nc2C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H27Cl2N5O3/c1-13(14-2-3-18(23)19(24)8-14)26-22(31)29-6-4-15-10-25-21(28-20(15)11-29)27-16-5-7-32-17(9-16)12-30/h2-3,8,10,13,16-17,30H,4-7,9,11-12H2,1H3,(H,26,31)(H,25,27,28)/t13-,16+,17-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of Cdk2 (unknown origin)


Bioorg Med Chem Lett 24: 2635-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.068
BindingDB Entry DOI: 10.7270/Q2FQ9Z54
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50021707
PNG
(CHEMBL3298985)
Show SMILES CC[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C23H27ClN6O2/c1-2-20(15-3-4-16(12-25)19(24)11-15)29-23(31)30-8-5-17-13-26-22(28-21(17)14-30)27-18-6-9-32-10-7-18/h3-4,11,13,18,20H,2,5-10,14H2,1H3,(H,29,31)(H,26,27,28)/t20-/m1/s1
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Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of Cdk2 (unknown origin)


Bioorg Med Chem Lett 24: 2635-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.068
BindingDB Entry DOI: 10.7270/Q2FQ9Z54
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7657
PNG
(4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246447
PNG
(2-fluoro-4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-im...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)N(C)C)c(F)c2)ncc1F
Show InChI InChI=1S/C20H22F2N6O/c1-11(2)28-12(3)23-10-17(28)18-16(22)9-24-20(26-18)25-13-6-7-14(15(21)8-13)19(29)27(4)5/h6-11H,1-5H3,(H,24,25,26)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246350
PNG
(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N(C)C)ncc1F
Show InChI InChI=1S/C20H23FN6O/c1-12(2)27-13(3)22-11-17(27)18-16(21)10-23-20(25-18)24-15-8-6-14(7-9-15)19(28)26(4)5/h6-12H,1-5H3,(H,23,24,25)
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246301
PNG
(4-(4-(1-cyclopentyl-2-methyl-1H-imidazol-5-yl)pyri...)
Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C2CCCC2)cc1
Show InChI InChI=1S/C21H24N6O/c1-14-24-13-19(27(14)17-5-3-4-6-17)18-11-12-23-21(26-18)25-16-9-7-15(8-10-16)20(28)22-2/h7-13,17H,3-6H2,1-2H3,(H,22,28)(H,23,25,26)
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246298
PNG
(CHEMBL487067 | N-(2-hydroxyethyl)-4-(4-(1-isopropy...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NCCO)n1
Show InChI InChI=1S/C20H24N6O2/c1-13(2)26-14(3)23-12-18(26)17-8-9-22-20(25-17)24-16-6-4-15(5-7-16)19(28)21-10-11-27/h4-9,12-13,27H,10-11H2,1-3H3,(H,21,28)(H,22,24,25)
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7111
PNG
((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo...)
Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCNC1=O
Show InChI InChI=1S/C18H21N5O2/c1-11(17(24)20-16-10-15(21-22-16)13-2-3-13)12-4-6-14(7-5-12)23-9-8-19-18(23)25/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,19,25)(H2,20,21,22,24)/t11-/m0/s1
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Institute of Chemical Biology (CSIR)

Curated by ChEMBL


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


Eur J Med Chem 43: 2807-18 (2008)


Article DOI: 10.1016/j.ejmech.2007.10.016
BindingDB Entry DOI: 10.7270/Q2MP5324
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(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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Georgetown University

Curated by ChEMBL


Assay Description
Inhibition of CDK2


AAPS J 8: 204-21 (2006)


Article DOI: 10.1208/aapsj080125
BindingDB Entry DOI: 10.7270/Q2TX3GBS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7688
PNG
(4-({1-[(3Z)-5-(1,3-oxazol-5-yl)-2-oxo-2,3-dihydro-...)
Show SMILES CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(cc12)-c1cnco1
Show InChI InChI=1S/C19H16N4O4S/c1-11(22-13-3-5-14(6-4-13)28(20,25)26)18-15-8-12(17-9-21-10-27-17)2-7-16(15)23-19(18)24/h2-10,18H,1H3,(H,23,24)(H2,20,25,26)
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University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50245864
PNG
(CHEMBL462385 | N-(2-(dimethylamino)ethyl)-2-fluoro...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)NCCN(C)C)c(F)c2)ncc1F
Show InChI InChI=1S/C22H27F2N7O/c1-13(2)31-14(3)26-12-19(31)20-18(24)11-27-22(29-20)28-15-6-7-16(17(23)10-15)21(32)25-8-9-30(4)5/h6-7,10-13H,8-9H2,1-5H3,(H,25,32)(H,27,28,29)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50245865
PNG
(((S)-3-(dimethylamino)pyrrolidin-1-yl)(4-(5-fluoro...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CC[C@@H](C2)N(C)C)ncc1F
Show InChI InChI=1S/C24H30FN7O/c1-15(2)32-16(3)26-13-21(32)22-20(25)12-27-24(29-22)28-18-8-6-17(7-9-18)23(33)31-11-10-19(14-31)30(4)5/h6-9,12-13,15,19H,10-11,14H2,1-5H3,(H,27,28,29)/t19-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50245910
PNG
((4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CCCN(C)CC2)ncc1F
Show InChI InChI=1S/C24H30FN7O/c1-16(2)32-17(3)26-15-21(32)22-20(25)14-27-24(29-22)28-19-8-6-18(7-9-19)23(33)31-11-5-10-30(4)12-13-31/h6-9,14-16H,5,10-13H2,1-4H3,(H,27,28,29)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM2553
PNG
(US8507510, 1.44)
Show SMILES C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
Show InChI InChI=1S/C15H20BrN5O2S/c1-9(10(2)22)19-14-13(16)8-18-15(21-14)20-11-4-6-12(7-5-11)24(3,17)23/h4-10,17,22H,1-3H3,(H2,18,19,20,21)/t9-,10+,24?/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Kinase assay using either CDK1, CDK2 or VEGFR-2.


US Patent US8507510 (2013)


BindingDB Entry DOI: 10.7270/Q2V69H76
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246408
PNG
((4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5...)
Show SMILES CN[C@H]1CCN(C1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1
Show InChI InChI=1S/C23H28FN7O/c1-14(2)31-15(3)26-12-20(31)21-19(24)11-27-23(29-21)28-17-7-5-16(6-8-17)22(32)30-10-9-18(13-30)25-4/h5-8,11-12,14,18,25H,9-10,13H2,1-4H3,(H,27,28,29)/t18-/m0/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8129
PNG
(4-[(4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidin-2-y...)
Show SMILES N#Cc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
Show InChI InChI=1S/C17H11N7/c18-10-12-3-5-13(6-4-12)22-17-19-9-7-15(23-17)14-11-21-24-16(14)2-1-8-20-24/h1-9,11H,(H,19,22,23)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 by HTRF assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50293154
PNG
(3-(4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl...)
Show SMILES N#Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C17H11N7/c18-10-12-3-1-4-13(9-12)22-17-19-8-6-15(23-17)14-11-21-24-16(14)5-2-7-20-24/h1-9,11H,(H,19,22,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 by HTRF assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7107
PNG
((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-oxo...)
Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1Cc2ccccc2C1=O
Show InChI InChI=1S/C23H22N4O2/c1-14(22(28)24-21-12-20(25-26-21)16-6-7-16)15-8-10-18(11-9-15)27-13-17-4-2-3-5-19(17)23(27)29/h2-5,8-12,14,16H,6-7,13H2,1H3,(H2,24,25,26,28)/t14-/m0/s1
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Institute of Chemical Biology (CSIR)

Curated by ChEMBL


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


Eur J Med Chem 43: 2807-18 (2008)


Article DOI: 10.1016/j.ejmech.2007.10.016
BindingDB Entry DOI: 10.7270/Q2MP5324
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7717
PNG
(Oxindole-Based Inhibitor 53 | methyl (3Z)-2-oxo-3-...)
Show SMILES COC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C17H15N3O5S/c1-25-17(22)10-2-7-15-13(8-10)14(16(21)20-15)9-19-11-3-5-12(6-4-11)26(18,23)24/h2-9,14H,1H3,(H,20,21)(H2,18,23,24)
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n/an/a 2.10n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7725
PNG
((3Z)-2-oxo-N-(pyridin-3-ylmethyl)-3-[2-(4-sulfamoy...)
Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2cccnc2)cc1
Show InChI InChI=1S/C21H18N6O4S/c22-32(30,31)16-6-4-15(5-7-16)26-27-19-17-10-14(3-8-18(17)25-21(19)29)20(28)24-12-13-2-1-9-23-11-13/h1-11,26H,12H2,(H,24,28)(H2,22,30,31)(H,25,27,29)
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University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7717
PNG
(Oxindole-Based Inhibitor 53 | methyl (3Z)-2-oxo-3-...)
Show SMILES COC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C17H15N3O5S/c1-25-17(22)10-2-7-15-13(8-10)14(16(21)20-15)9-19-11-3-5-12(6-4-11)26(18,23)24/h2-9,14H,1H3,(H,20,21)(H2,18,23,24)
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Yale University

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human cyclin dependent kinase 2 (CDK2)


J Med Chem 47: 2534-49 (2004)


Article DOI: 10.1021/jm0304358
BindingDB Entry DOI: 10.7270/Q2KH0P3P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7725
PNG
((3Z)-2-oxo-N-(pyridin-3-ylmethyl)-3-[2-(4-sulfamoy...)
Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2cccnc2)cc1
Show InChI InChI=1S/C21H18N6O4S/c22-32(30,31)16-6-4-15(5-7-16)26-27-19-17-10-14(3-8-18(17)25-21(19)29)20(28)24-12-13-2-1-9-23-11-13/h1-11,26H,12H2,(H,24,28)(H2,22,30,31)(H,25,27,29)
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Yale University

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human cyclin dependent kinase 2


J Med Chem 47: 2534-49 (2004)


Article DOI: 10.1021/jm0304358
BindingDB Entry DOI: 10.7270/Q2KH0P3P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7741
PNG
(4-[N -(1-Chloro-7-oxo-6,7-dihydro-3H-pyrrolo[3,2-e...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]c(Cl)c23)[nH]c1=O
Show InChI InChI=1S/C15H11ClN6O3S/c16-14-12-10(20-22-14)6-5-9-11(12)13(15(23)18-9)21-19-7-1-3-8(4-2-7)26(17,24)25/h1-6,20,22H,(H,18,23)(H2,17,24,25)
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n/an/a 2.20n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
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