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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for assayid = 9 entry = 50045787   
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 2


(Homo sapiens (Human))
BDBM50081177
PNG
(CHEMBL3421973)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3cnccc23)cc1
Show InChI InChI=1S/C22H22ClN7/c1-29-8-10-30(11-9-29)16-4-2-15(3-5-16)27-22-26-13-19(23)21(28-22)18-12-25-20-14-24-7-6-17(18)20/h2-7,12-14,25H,8-11H2,1H3,(H,26,27,28)
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50081188
PNG
(CHEMBL3421981)
Show SMILES c1cc2c(ccnc2[nH]1)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C14H10N4/c1-4-15-8-13-10(1)12(7-18-13)9-2-5-16-14-11(9)3-6-17-14/h1-8,18H,(H,16,17)
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n/an/a 314n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50081186
PNG
(CHEMBL3421962)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(ncn2)-c2c[nH]c3cnccc23)cc1
Show InChI InChI=1S/C22H23N7/c1-28-8-10-29(11-9-28)17-4-2-16(3-5-17)27-22-12-20(25-15-26-22)19-13-24-21-14-23-7-6-18(19)21/h2-7,12-15,24H,8-11H2,1H3,(H,25,26,27)
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n/an/a 577n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50081181
PNG
(CHEMBL3421967)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12)N1CCN(C)CC1
Show InChI InChI=1S/C23H25N7O/c1-29-9-11-30(12-10-29)16-3-4-20(22(13-16)31-2)28-23-25-8-6-19(27-23)18-14-26-21-15-24-7-5-17(18)21/h3-8,13-15,26H,9-12H2,1-2H3,(H,25,27,28)
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n/an/a 1.82E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50081182
PNG
(CHEMBL3421966)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H25N7O2/c1-16(32)30-9-11-31(12-10-30)17-3-4-21(23(13-17)33-2)29-24-26-8-6-20(28-24)19-14-27-22-15-25-7-5-18(19)22/h3-8,13-15,27H,9-12H2,1-2H3,(H,26,28,29)
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n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50081174
PNG
(CHEMBL3421968)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1
Show InChI InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28)
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n/an/a 4.47E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50081191
PNG
(CHEMBL3421978)
Show SMILES C(=C/c1nccc(n1)-c1c[nH]c2cnccc12)\c1ccccc1
Show InChI InChI=1S/C19H14N4/c1-2-4-14(5-3-1)6-7-19-21-11-9-17(23-19)16-12-22-18-13-20-10-8-15(16)18/h1-13,22H/b7-6+
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n/an/a 5.18E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50081180
PNG
(CHEMBL3421969)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnc(C)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C24H27N7O/c1-16-12-18-19(14-27-22(18)15-26-16)20-6-7-25-24(28-20)29-21-5-4-17(13-23(21)32-3)31-10-8-30(2)9-11-31/h4-7,12-15,27H,8-11H2,1-3H3,(H,25,28,29)
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n/an/a 1.05E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50081185
PNG
(CHEMBL3421963)
Show SMILES COc1cc(ccc1Nc1cc(ncn1)-c1c[nH]c2cnccc12)N1CCN(C)CC1
Show InChI InChI=1S/C23H25N7O/c1-29-7-9-30(10-8-29)16-3-4-19(22(11-16)31-2)28-23-12-20(26-15-27-23)18-13-25-21-14-24-6-5-17(18)21/h3-6,11-15,25H,7-10H2,1-2H3,(H,26,27,28)
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n/an/a 1.23E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50081178
PNG
(CHEMBL3421971)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2c(C)nccc12)N1CCN(C)CC1
Show InChI InChI=1S/C25H29N7O/c1-17-24-19(7-9-26-17)20(16-31(24)3)21-8-10-27-25(28-21)29-22-6-5-18(15-23(22)33-4)32-13-11-30(2)12-14-32/h5-10,15-16H,11-14H2,1-4H3,(H,27,28,29)
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n/an/a 1.37E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50081184
PNG
(CHEMBL3421964)
Show SMILES COc1cc(ccc1Nc1cc(ncn1)-c1c[nH]c2cnccc12)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H25N7O2/c1-16(32)30-7-9-31(10-8-30)17-3-4-20(23(11-17)33-2)29-24-12-21(27-15-28-24)19-13-26-22-14-25-6-5-18(19)22/h3-6,11-15,26H,7-10H2,1-2H3,(H,27,28,29)
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n/an/a 1.41E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50081183
PNG
(CHEMBL3421965)
Show SMILES COc1cc(ccc1Nc1cc(ncn1)-c1cn(C)c2cnccc12)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C25H27N7O2/c1-17(33)31-8-10-32(11-9-31)18-4-5-21(24(12-18)34-3)29-25-13-22(27-16-28-25)20-15-30(2)23-14-26-7-6-19(20)23/h4-7,12-16H,8-11H2,1-3H3,(H,27,28,29)
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n/an/a 1.48E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50081175
PNG
(CHEMBL3421975)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nccc(n1)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C18H14N4O2S/c1-25(23,24)13-4-2-12(3-5-13)18-20-9-7-16(22-18)15-10-21-17-11-19-8-6-14(15)17/h2-11,21H,1H3
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n/an/a 1.69E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50081179
PNG
(CHEMBL3421970)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2c(C)nccc12)N1CCN(C)CC1
Show InChI InChI=1S/C24H27N7O/c1-16-23-18(6-8-25-16)19(15-27-23)20-7-9-26-24(28-20)29-21-5-4-17(14-22(21)32-3)31-12-10-30(2)11-13-31/h4-9,14-15,27H,10-13H2,1-3H3,(H,26,28,29)
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n/an/a 1.74E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50081187
PNG
(CHEMBL3421636)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(ncn2)-c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C23H24N6/c1-28-10-12-29(13-11-28)18-8-6-17(7-9-18)27-23-14-22(25-16-26-23)20-15-24-21-5-3-2-4-19(20)21/h2-9,14-16,24H,10-13H2,1H3,(H,25,26,27)
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n/an/a 3.32E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50081190
PNG
(CHEMBL3421979)
Show SMILES Cc1nccc(n1)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C12H10N4/c1-8-14-5-3-11(16-8)10-6-15-12-7-13-4-2-9(10)12/h2-7,15H,1H3
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n/an/a 3.84E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50081176
PNG
(CHEMBL3421974)
Show SMILES O=C(NC1CCCC1)c1ccc(cc1)-c1nccc(n1)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C23H21N5O/c29-23(27-17-3-1-2-4-17)16-7-5-15(6-8-16)22-25-12-10-20(28-22)19-13-26-21-14-24-11-9-18(19)21/h5-14,17,26H,1-4H2,(H,27,29)
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n/an/a 4.59E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50081189
PNG
(CHEMBL3421980)
Show SMILES Cc1nccc(n1)-c1cn(Cc2ccccc2)c2cnccc12
Show InChI InChI=1S/C19H16N4/c1-14-21-10-8-18(22-14)17-13-23(12-15-5-3-2-4-6-15)19-11-20-9-7-16(17)19/h2-11,13H,12H2,1H3
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n/an/a 5.67E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50081193
PNG
(CHEMBL3421976)
Show SMILES Cn1cc(-c2ccnc(n2)-c2ccc(cc2)S(C)(=O)=O)c2ccncc12
Show InChI InChI=1S/C19H16N4O2S/c1-23-12-16(15-7-9-20-11-18(15)23)17-8-10-21-19(22-17)13-3-5-14(6-4-13)26(2,24)25/h3-12H,1-2H3
PDB
MMDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50081192
PNG
(CHEMBL3421977)
Show SMILES Cc1nccc2c(c[nH]c12)-c1ccnc(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H16N4O2S/c1-12-18-15(7-9-20-12)16(11-22-18)17-8-10-21-19(23-17)13-3-5-14(6-4-13)26(2,24)25/h3-11,22H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair