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Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'diab' and Initial = 's'   
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
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50130704
PNG
(CHEMBL3632744)
Show SMILES CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C18H19FN4O2S/c1-9(2)25-13-7-11(19)5-6-12(13)23-16-14-10(3)15(17(24)20-4)26-18(14)22-8-21-16/h5-9H,1-4H3,(H,20,24)(H,21,22,23)
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18n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of human Mnk2a using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after 90 mins by ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50130705
PNG
(CHEMBL3632745)
Show SMILES CCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C19H21FN4O2S/c1-5-21-18(25)16-11(4)15-17(22-9-23-19(15)27-16)24-13-7-6-12(20)8-14(13)26-10(2)3/h6-10H,5H2,1-4H3,(H,21,25)(H,22,23,24)
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18n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of human Mnk2a using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after 90 mins by ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50130706
PNG
(CHEMBL3632746)
Show SMILES COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C20H23FN4O3S/c1-11(2)28-15-9-13(21)5-6-14(15)25-18-16-12(3)17(19(26)22-7-8-27-4)29-20(16)24-10-23-18/h5-6,9-11H,7-8H2,1-4H3,(H,22,26)(H,23,24,25)
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31n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of human Mnk2a using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after 90 mins by ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50130702
PNG
(CHEMBL3632742)
Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
Show InChI InChI=1S/C17H16FN3O3S/c1-8(2)24-12-6-10(18)4-5-11(12)21-15-13-9(3)14(17(22)23)25-16(13)20-7-19-15/h4-8H,1-3H3,(H,22,23)(H,19,20,21)
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68n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of human Mnk2a using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after 90 mins by ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50130694
PNG
(CHEMBL3416305)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@@]2(C)C1=O |r,c:3,t:6|
Show InChI InChI=1/C16H13NO7/c1-5(18)10-7(20)4-9-16(2,14(10)22)12-8(21)3-6(19)11(15(17)23)13(12)24-9/h3-4,19-21H,1-2H3,(H2,17,23)/t16-/s2
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79n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of human Mnk2a using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after 90 mins by ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50130704
PNG
(CHEMBL3632744)
Show SMILES CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C18H19FN4O2S/c1-9(2)25-13-7-11(19)5-6-12(13)23-16-14-10(3)15(17(24)20-4)26-18(14)22-8-21-16/h5-9H,1-4H3,(H,20,24)(H,21,22,23)
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106n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk1a (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50130703
PNG
(CHEMBL3632743)
Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
Show InChI InChI=1S/C17H17FN4O2S/c1-8(2)24-12-6-10(18)4-5-11(12)22-16-13-9(3)14(15(19)23)25-17(13)21-7-20-16/h4-8H,1-3H3,(H2,19,23)(H,20,21,22)
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110n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of human Mnk2a using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after 90 mins by ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50130697
PNG
(CHEMBL3632740)
Show SMILES Cc1c(sc2ncnc(Nc3ccc(F)cc3)c12)C(O)=O
Show InChI InChI=1S/C14H10FN3O2S/c1-7-10-12(18-9-4-2-8(15)3-5-9)16-6-17-13(10)21-11(7)14(19)20/h2-6H,1H3,(H,19,20)(H,16,17,18)
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164n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of human Mnk2a using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after 90 mins by ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50130707
PNG
(CHEMBL3632747)
Show SMILES COCCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C21H25FN4O3S/c1-12(2)29-16-10-14(22)6-7-15(16)26-19-17-13(3)18(30-21(17)25-11-24-19)20(27)23-8-5-9-28-4/h6-7,10-12H,5,8-9H2,1-4H3,(H,23,27)(H,24,25,26)
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164n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of human Mnk2a using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after 90 mins by ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50130702
PNG
(CHEMBL3632742)
Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
Show InChI InChI=1S/C17H16FN3O3S/c1-8(2)24-12-6-10(18)4-5-11(12)21-15-13-9(3)14(17(22)23)25-16(13)20-7-19-15/h4-8H,1-3H3,(H,22,23)(H,19,20,21)
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186n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk1a (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50079470
PNG
(CHEMBL3417199)
Show SMILES COCCn1cc(C)cc(Nc2ncnc3sc(C(O)=O)c(C)c23)c1=O
Show InChI InChI=1S/C17H18N4O4S/c1-9-6-11(16(22)21(7-9)4-5-25-3)20-14-12-10(2)13(17(23)24)26-15(12)19-8-18-14/h6-8H,4-5H2,1-3H3,(H,23,24)(H,18,19,20)
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240n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk2 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50130707
PNG
(CHEMBL3632747)
Show SMILES COCCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C21H25FN4O3S/c1-12(2)29-16-10-14(22)6-7-15(16)26-19-17-13(3)18(30-21(17)25-11-24-19)20(27)23-8-5-9-28-4/h6-7,10-12H,5,8-9H2,1-4H3,(H,23,27)(H,24,25,26)
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320n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk1a (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50130693
PNG
(CGP-57380 | CHEMBL1240885)
Show SMILES Nc1ncnc2[nH]nc(Nc3ccc(F)cc3)c12
Show InChI InChI=1S/C11H9FN6/c12-6-1-3-7(4-2-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)
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340n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of human Mnk2a using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after 90 mins by ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50079405
PNG
(CHEMBL3417205)
Show SMILES COCCn1cc(C)cc(Nc2ncnc3sc(C(N)=O)c(C)c23)c1=O
Show InChI InChI=1S/C17H19N5O3S/c1-9-6-11(17(24)22(7-9)4-5-25-3)21-15-12-10(2)13(14(18)23)26-16(12)20-8-19-15/h6-8H,4-5H2,1-3H3,(H2,18,23)(H,19,20,21)
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340n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk2 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50079471
PNG
(CHEMBL3417198)
Show SMILES Cc1c(sc2ncnc(Nc3cc(C)cn(C)c3=O)c12)C(O)=O
Show InChI InChI=1S/C15H14N4O3S/c1-7-4-9(14(20)19(3)5-7)18-12-10-8(2)11(15(21)22)23-13(10)17-6-16-12/h4-6H,1-3H3,(H,21,22)(H,16,17,18)
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350n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk2 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50130698
PNG
(CHEMBL3632741)
Show SMILES Cc1c(sc2ncnc(Nc3ccc(F)cc3C)c12)C(O)=O
Show InChI InChI=1S/C15H12FN3O2S/c1-7-5-9(16)3-4-10(7)19-13-11-8(2)12(15(20)21)22-14(11)18-6-17-13/h3-6H,1-2H3,(H,20,21)(H,17,18,19)
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500n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of human Mnk2a using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after 90 mins by ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50130694
PNG
(CHEMBL3416305)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@@]2(C)C1=O |r,c:3,t:6|
Show InChI InChI=1/C16H13NO7/c1-5(18)10-7(20)4-9-16(2,14(10)22)12-8(21)3-6(19)11(15(17)23)13(12)24-9/h3-4,19-21H,1-2H3,(H2,17,23)/t16-/s2
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507n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk1a (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50298223
PNG
(CGP-57380 | CHEMBL1240885 | CHEMBL576817 | N-(4-fl...)
Show SMILES Nc1ncnc2n[nH]c(Nc3ccc(F)cc3)c12
Show InChI InChI=1S/C11H9FN6/c12-6-1-3-7(4-2-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)
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880n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk2 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50079403
PNG
(CHEMBL3417207)
Show SMILES Cc1c(sc2ncnc(Nc3ccc(=O)n(C)c3)c12)C(O)=O
Show InChI InChI=1S/C14H12N4O3S/c1-7-10-12(17-8-3-4-9(19)18(2)5-8)15-6-16-13(10)22-11(7)14(20)21/h3-6H,1-2H3,(H,20,21)(H,15,16,17)
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900n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk2 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50130705
PNG
(CHEMBL3632745)
Show SMILES CCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C19H21FN4O2S/c1-5-21-18(25)16-11(4)15-17(22-9-23-19(15)27-16)24-13-7-6-12(20)8-14(13)26-10(2)3/h6-10H,5H2,1-4H3,(H,21,25)(H,22,23,24)
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933n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk1a (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50298223
PNG
(CGP-57380 | CHEMBL1240885 | CHEMBL576817 | N-(4-fl...)
Show SMILES Nc1ncnc2n[nH]c(Nc3ccc(F)cc3)c12
Show InChI InChI=1S/C11H9FN6/c12-6-1-3-7(4-2-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)
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1.01E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk1 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50130693
PNG
(CGP-57380 | CHEMBL1240885)
Show SMILES Nc1ncnc2[nH]nc(Nc3ccc(F)cc3)c12
Show InChI InChI=1S/C11H9FN6/c12-6-1-3-7(4-2-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)
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1.01E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk1a (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50130703
PNG
(CHEMBL3632743)
Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
Show InChI InChI=1S/C17H17FN4O2S/c1-8(2)24-12-6-10(18)4-5-11(12)22-16-13-9(3)14(15(19)23)25-17(13)21-7-20-16/h4-8H,1-3H3,(H2,19,23)(H,20,21,22)
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1.02E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk1a (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50079402
PNG
(CHEMBL3417208)
Show SMILES Cc1c(sc2ncnc(Nc3ccc(=O)n(C)c3)c12)C(N)=O
Show InChI InChI=1S/C14H13N5O2S/c1-7-10-13(18-8-3-4-9(20)19(2)5-8)16-6-17-14(10)22-11(7)12(15)21/h3-6H,1-2H3,(H2,15,21)(H,16,17,18)
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1.60E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk2 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50130697
PNG
(CHEMBL3632740)
Show SMILES Cc1c(sc2ncnc(Nc3ccc(F)cc3)c12)C(O)=O
Show InChI InChI=1S/C14H10FN3O2S/c1-7-10-12(18-9-4-2-8(15)3-5-9)16-6-17-13(10)21-11(7)14(19)20/h2-6H,1H3,(H,19,20)(H,16,17,18)
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1.90E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk1a (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50079470
PNG
(CHEMBL3417199)
Show SMILES COCCn1cc(C)cc(Nc2ncnc3sc(C(O)=O)c(C)c23)c1=O
Show InChI InChI=1S/C17H18N4O4S/c1-9-6-11(16(22)21(7-9)4-5-25-3)20-14-12-10(2)13(17(23)24)26-15(12)19-8-18-14/h6-8H,4-5H2,1-3H3,(H,23,24)(H,18,19,20)
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2.06E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk1 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50079403
PNG
(CHEMBL3417207)
Show SMILES Cc1c(sc2ncnc(Nc3ccc(=O)n(C)c3)c12)C(O)=O
Show InChI InChI=1S/C14H12N4O3S/c1-7-10-12(17-8-3-4-9(19)18(2)5-8)15-6-16-13(10)22-11(7)14(20)21/h3-6H,1-2H3,(H,20,21)(H,15,16,17)
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2.15E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk1 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50079405
PNG
(CHEMBL3417205)
Show SMILES COCCn1cc(C)cc(Nc2ncnc3sc(C(N)=O)c(C)c23)c1=O
Show InChI InChI=1S/C17H19N5O3S/c1-9-6-11(17(24)22(7-9)4-5-25-3)21-15-12-10(2)13(14(18)23)26-16(12)20-8-19-15/h6-8H,4-5H2,1-3H3,(H2,18,23)(H,19,20,21)
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2.33E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk1 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50079449
PNG
(CHEMBL3417204)
Show SMILES COCCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
Show InChI InChI=1S/C19H23N5O3S/c1-11-8-13(19(26)24(3)9-11)23-16-14-12(2)15(28-18(14)22-10-21-16)17(25)20-6-5-7-27-4/h8-10H,5-7H2,1-4H3,(H,20,25)(H,21,22,23)
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2.63E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk2 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50130709
PNG
(CHEMBL3632736)
Show SMILES Ic1ccc(Nc2ncnc3[nH]ncc23)cc1
Show InChI InChI=1S/C11H8IN5/c12-7-1-3-8(4-2-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H2,13,14,15,16,17)
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3.05E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50079466
PNG
(CHEMBL3417203)
Show SMILES COCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
Show InChI InChI=1S/C18H21N5O3S/c1-10-7-12(18(25)23(3)8-10)22-15-13-11(2)14(16(24)19-5-6-26-4)27-17(13)21-9-20-15/h7-9H,5-6H2,1-4H3,(H,19,24)(H,20,21,22)
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3.17E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk2 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM98036
PNG
(US8486953, 19)
Show SMILES COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C18H18FN3O3S/c1-9(2)25-13-7-11(19)5-6-12(13)22-16-14-10(3)15(18(23)24-4)26-17(14)21-8-20-16/h5-9H,1-4H3,(H,20,21,22)
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4.05E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of human Mnk2a using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after 90 mins by ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50079402
PNG
(CHEMBL3417208)
Show SMILES Cc1c(sc2ncnc(Nc3ccc(=O)n(C)c3)c12)C(N)=O
Show InChI InChI=1S/C14H13N5O2S/c1-7-10-13(18-8-3-4-9(20)19(2)5-8)16-6-17-14(10)22-11(7)12(15)21/h3-6H,1-2H3,(H2,15,21)(H,16,17,18)
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4.51E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk1 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50079471
PNG
(CHEMBL3417198)
Show SMILES Cc1c(sc2ncnc(Nc3cc(C)cn(C)c3=O)c12)C(O)=O
Show InChI InChI=1S/C15H14N4O3S/c1-7-4-9(14(20)19(3)5-7)18-12-10-8(2)11(15(21)22)23-13(10)17-6-16-12/h4-6H,1-3H3,(H,21,22)(H,16,17,18)
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4.82E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk1 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50079449
PNG
(CHEMBL3417204)
Show SMILES COCCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
Show InChI InChI=1S/C19H23N5O3S/c1-11-8-13(19(26)24(3)9-11)23-16-14-12(2)15(28-18(14)22-10-21-16)17(25)20-6-5-7-27-4/h8-10H,5-7H2,1-4H3,(H,20,25)(H,21,22,23)
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5.00E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk1 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50079466
PNG
(CHEMBL3417203)
Show SMILES COCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
Show InChI InChI=1S/C18H21N5O3S/c1-10-7-12(18(25)23(3)8-10)22-15-13-11(2)14(16(24)19-5-6-26-4)27-17(13)21-9-20-15/h7-9H,5-6H2,1-4H3,(H,19,24)(H,20,21,22)
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5.40E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk1 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50079467
PNG
(CHEMBL3417202)
Show SMILES CCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
Show InChI InChI=1S/C17H19N5O2S/c1-5-18-15(23)13-10(3)12-14(19-8-20-16(12)25-13)21-11-6-9(2)7-22(4)17(11)24/h6-8H,5H2,1-4H3,(H,18,23)(H,19,20,21)
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5.99E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk2 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50130709
PNG
(CHEMBL3632736)
Show SMILES Ic1ccc(Nc2ncnc3[nH]ncc23)cc1
Show InChI InChI=1S/C11H8IN5/c12-7-1-3-8(4-2-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H2,13,14,15,16,17)
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7.87E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclinT1 (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measure...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50079468
PNG
(CHEMBL3417201)
Show SMILES CNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
Show InChI InChI=1S/C16H17N5O2S/c1-8-5-10(16(23)21(4)6-8)20-13-11-9(2)12(14(22)17-3)24-15(11)19-7-18-13/h5-7H,1-4H3,(H,17,22)(H,18,19,20)
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9.05E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk2 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50130708
PNG
(CHEMBL3632735)
Show SMILES C[C@H]1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21 |r|
Show InChI InChI=1/C17H15ClFN3S/c1-9-2-4-11-14(6-9)23-17-15(11)16(20-8-21-17)22-10-3-5-13(19)12(18)7-10/h3,5,7-9H,2,4,6H2,1H3,(H,20,21,22)/t9-/s2
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1.00E+4n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50067326
PNG
(CHEMBL3237084)
Show SMILES CCOC(=O)c1sc2ncnc(Nc3ccc(F)cc3)c2c1C
Show InChI InChI=1S/C16H14FN3O2S/c1-3-22-16(21)13-9(2)12-14(18-8-19-15(12)23-13)20-11-6-4-10(17)5-7-11/h4-8H,3H2,1-2H3,(H,18,19,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50130693
PNG
(CGP-57380 | CHEMBL1240885)
Show SMILES Nc1ncnc2[nH]nc(Nc3ccc(F)cc3)c12
Show InChI InChI=1S/C11H9FN6/c12-6-1-3-7(4-2-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM98036
PNG
(US8486953, 19)
Show SMILES COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C18H18FN3O3S/c1-9(2)25-13-7-11(19)5-6-12(13)22-16-14-10(3)15(18(23)24-4)26-17(14)21-8-20-16/h5-9H,1-4H3,(H,20,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50130702
PNG
(CHEMBL3632742)
Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
Show InChI InChI=1S/C17H16FN3O3S/c1-8(2)24-12-6-10(18)4-5-11(12)21-15-13-9(3)14(17(22)23)25-16(13)20-7-19-15/h4-8H,1-3H3,(H,22,23)(H,19,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50130703
PNG
(CHEMBL3632743)
Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
Show InChI InChI=1S/C17H17FN4O2S/c1-8(2)24-12-6-10(18)4-5-11(12)22-16-13-9(3)14(15(19)23)25-17(13)21-7-20-16/h4-8H,1-3H3,(H2,19,23)(H,20,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50130704
PNG
(CHEMBL3632744)
Show SMILES CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C18H19FN4O2S/c1-9(2)25-13-7-11(19)5-6-12(13)23-16-14-10(3)15(17(24)20-4)26-18(14)22-8-21-16/h5-9H,1-4H3,(H,20,24)(H,21,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50130705
PNG
(CHEMBL3632745)
Show SMILES CCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C19H21FN4O2S/c1-5-21-18(25)16-11(4)15-17(22-9-23-19(15)27-16)24-13-7-6-12(20)8-14(13)26-10(2)3/h6-10H,5H2,1-4H3,(H,21,25)(H,22,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50130706
PNG
(CHEMBL3632746)
Show SMILES COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C20H23FN4O3S/c1-11(2)28-15-9-13(21)5-6-14(15)25-18-16-12(3)17(19(26)22-7-8-27-4)29-20(16)24-10-23-18/h5-6,9-11H,7-8H2,1-4H3,(H,22,26)(H,23,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50130707
PNG
(CHEMBL3632747)
Show SMILES COCCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C21H25FN4O3S/c1-12(2)29-16-10-14(22)6-7-15(16)26-19-17-13(3)18(30-21(17)25-11-24-19)20(27)23-8-5-9-28-4/h6-7,10-12H,5,8-9H2,1-4H3,(H,23,27)(H,24,25,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50130708
PNG
(CHEMBL3632735)
Show SMILES C[C@H]1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21 |r|
Show InChI InChI=1/C17H15ClFN3S/c1-9-2-4-11-14(6-9)23-17-15(11)16(20-8-21-17)22-10-3-5-13(19)12(18)7-10/h3,5,7-9H,2,4,6H2,1H3,(H,20,21,22)/t9-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclinT1 (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measure...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
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