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Compile Data Set for Download or QSAR

Found 351 hits with Last Name = 'luk' and Initial = 'kc'   
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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50400047
PNG
(BIIB-057 | CHEMBL2177736 | US9579320, Example 87)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50400047
PNG
(BIIB-057 | CHEMBL2177736 | US9579320, Example 87)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1
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Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis


J Med Chem 55: 10414-23 (2012)


Article DOI: 10.1021/jm301367c
BindingDB Entry DOI: 10.7270/Q2057H23
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431385
PNG
(CHEMBL2346686)
Show SMILES Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc12
Show InChI InChI=1S/C20H20F2N6O2/c1-20(2,3)26-18(29)12-8-23-17-16(12)25-13(9-24-17)15-11-7-10(30-19(21)22)5-6-14(11)28(4)27-15/h5-9,19H,1-4H3,(H,23,24)(H,26,29)
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Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50400044
PNG
(CHEMBL2177726 | US9169259, I-54)
Show SMILES COc1ccc(Nc2cc(nn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)C(O)=O)nc1OC
Show InChI InChI=1S/C27H22N6O5/c1-37-22-10-11-23(31-26(22)38-2)30-21-15-20(32-33-13-12-28-24(21)33)17-4-3-5-18(14-17)25(34)29-19-8-6-16(7-9-19)27(35)36/h3-15H,1-2H3,(H,29,34)(H,30,31)(H,35,36)
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Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis


J Med Chem 55: 10414-23 (2012)


Article DOI: 10.1021/jm301367c
BindingDB Entry DOI: 10.7270/Q2057H23
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10083
PNG
((3Z)-4-(3-hydroxypiperidin-1-yl)-3-[(3-methoxy-1H-...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCCC(O)C3)c12)N(=O)=O
Show InChI InChI=1S/C19H20N4O5/c1-28-16-6-7-20-14(16)9-12-17-13(21-19(12)25)4-5-15(23(26)27)18(17)22-8-2-3-11(24)10-22/h4-7,9,11,20,24H,2-3,8,10H2,1H3,(H,21,25)/b12-9-
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n/an/a 2n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10112
PNG
((3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methyli...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H]3CCCN3)c12 |r|
Show InChI InChI=1S/C20H18FN3O2/c1-26-18-8-10-23-17(18)11-14-19-13(5-4-12-3-2-9-22-12)15(21)6-7-16(19)24-20(14)25/h6-8,10-12,22-23H,2-3,9H2,1H3,(H,24,25)/b14-11-/t12-/m0/s1
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n/an/a 2n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431383
PNG
(CHEMBL2347405)
Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1n[nH]c2ccc(OC(F)F)cc12
Show InChI InChI=1S/C19H18F2N6O2/c1-19(2,3)25-17(28)11-7-22-16-15(11)24-13(8-23-16)14-10-6-9(29-18(20)21)4-5-12(10)26-27-14/h4-8,18H,1-3H3,(H,22,23)(H,25,28)(H,26,27)
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Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431372
PNG
(CHEMBL2347988)
Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCC(O)CO)c2ccc(OC(F)F)cc12
Show InChI InChI=1S/C23H26F2N6O4/c1-23(2,3)29-21(34)15-9-26-20-19(15)28-16(10-27-20)18-14-8-13(35-22(24)25)4-5-17(14)31(30-18)7-6-12(33)11-32/h4-5,8-10,12,22,32-33H,6-7,11H2,1-3H3,(H,26,27)(H,29,34)
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Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10085
PNG
((3Z)-4-[3-(hydroxymethyl)piperidin-1-yl]-3-[(3-met...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCCC(CO)C3)c12)N(=O)=O
Show InChI InChI=1S/C20H22N4O5/c1-29-17-6-7-21-15(17)9-13-18-14(22-20(13)26)4-5-16(24(27)28)19(18)23-8-2-3-12(10-23)11-25/h4-7,9,12,21,25H,2-3,8,10-11H2,1H3,(H,22,26)/b13-9-
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n/an/a 2n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10129
PNG
(7-[(2-aminoethyl)sulfanyl]-9-fluoro-5-(1H-pyrrol-2...)
Show SMILES NCCSc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
Show InChI InChI=1S/C17H14FN3OS/c18-10-3-4-12-16-14(17(22)21-12)9(11-2-1-6-20-11)8-13(15(10)16)23-7-5-19/h1-4,6,8,20H,5,7,19H2,(H,21,22)
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n/an/a 3n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/j.bmc.2006.10.050
BindingDB Entry DOI: 10.7270/Q2W37TJG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10109
PNG
((3Z)-4-[(3R,4S,5R)-4-amino-3,5-dihydroxyhex-1-yn-1...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](O)[C@@H](N)[C@@H](C)O)c12 |r|
Show InChI InChI=1S/C20H20FN3O4/c1-10(25)19(22)16(26)6-3-11-13(21)4-5-14-18(11)12(20(27)24-14)9-15-17(28-2)7-8-23-15/h4-5,7-10,16,19,23,25-26H,22H2,1-2H3,(H,24,27)/b12-9-/t10-,16-,19+/m1/s1
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n/an/a 3n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (Human))
BDBM10099
PNG
((3Z)-4-[(3S)-3-amino-4-hydroxybut-1-yn-1-yl]-5-flu...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@H](N)CO)c12 |r|
Show InChI InChI=1S/C18H16FN3O3/c1-25-16-6-7-21-15(16)8-12-17-11(3-2-10(20)9-23)13(19)4-5-14(17)22-18(12)24/h4-8,10,21,23H,9,20H2,1H3,(H,22,24)/b12-8-/t10-/m0/s1
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n/an/a 3n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50400045
PNG
(CHEMBL2177725)
Show SMILES COc1ccc(Nc2cc(cn3ncnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)C(O)=O)nc1OC
Show InChI InChI=1S/C27H22N6O5/c1-37-22-10-11-23(32-26(22)38-2)31-21-13-19(14-33-24(21)28-15-29-33)17-4-3-5-18(12-17)25(34)30-20-8-6-16(7-9-20)27(35)36/h3-15H,1-2H3,(H,30,34)(H,31,32)(H,35,36)
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Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis


J Med Chem 55: 10414-23 (2012)


Article DOI: 10.1021/jm301367c
BindingDB Entry DOI: 10.7270/Q2057H23
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431373
PNG
(CHEMBL2347420)
Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCCS(C)(=O)=O)c2ccc(OC(F)F)cc12
Show InChI InChI=1S/C23H26F2N6O4S/c1-23(2,3)29-21(32)15-11-26-20-19(15)28-16(12-27-20)18-14-10-13(35-22(24)25)6-7-17(14)31(30-18)8-5-9-36(4,33)34/h6-7,10-12,22H,5,8-9H2,1-4H3,(H,26,27)(H,29,32)
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Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10092
PNG
(C-4 substituted oxindole inhibitor 7p | N-[(3R)-1-...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@H](C3)NC=O)c12)N(=O)=O |r|
Show InChI InChI=1S/C19H19N5O5/c1-29-16-4-6-20-14(16)8-12-17-13(22-19(12)26)2-3-15(24(27)28)18(17)23-7-5-11(9-23)21-10-25/h2-4,6,8,10-11,20H,5,7,9H2,1H3,(H,21,25)(H,22,26)/b12-8-/t11-/m1/s1
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n/an/a 3n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10091
PNG
((-)-(R)-(Z)-4-(3-Amino-pyrrolidinyl)-3-(3-methoxy-...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@@H](N)C3)c12)N(=O)=O |r|
Show InChI InChI=1S/C18H19N5O4/c1-27-15-4-6-20-13(15)8-11-16-12(21-18(11)24)2-3-14(23(25)26)17(16)22-7-5-10(19)9-22/h2-4,6,8,10,20H,5,7,9,19H2,1H3,(H,21,24)/b11-8-/t10-/m1/s1
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n/an/a 3n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431382
PNG
(CHEMBL2347406)
Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1n[nH]c2c(CO)cccc12
Show InChI InChI=1S/C19H20N6O2/c1-19(2,3)23-18(27)12-7-20-17-16(12)22-13(8-21-17)15-11-6-4-5-10(9-26)14(11)24-25-15/h4-8,26H,9H2,1-3H3,(H,20,21)(H,23,27)(H,24,25)
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Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431375
PNG
(CHEMBL2347418)
Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCCN2CCOCC2)c2ccc(OC(F)F)cc12
Show InChI InChI=1S/C26H31F2N7O3/c1-26(2,3)32-24(36)18-14-29-23-22(18)31-19(15-30-23)21-17-13-16(38-25(27)28)5-6-20(17)35(33-21)8-4-7-34-9-11-37-12-10-34/h5-6,13-15,25H,4,7-12H2,1-3H3,(H,29,30)(H,32,36)
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n/an/a 3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10081
PNG
((-)-(R)-(Z)-4-(3-Hydroxy-pyrrolidinyl)-3-(3-methox...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@@H](O)C3)c12)N(=O)=O |r|
Show InChI InChI=1S/C18H18N4O5/c1-27-15-4-6-19-13(15)8-11-16-12(20-18(11)24)2-3-14(22(25)26)17(16)21-7-5-10(23)9-21/h2-4,6,8,10,19,23H,5,7,9H2,1H3,(H,20,24)/b11-8-/t10-/m1/s1
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n/an/a 3n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431379
PNG
(CHEMBL2347413)
Show SMILES Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@]4(C)C[C@H](N)C4)c3n2)c2ccc(F)cc12 |r,wU:14.13,17.17,wD:14.14,(33.77,-18.94,;32.23,-18.78,;31.21,-19.93,;29.8,-19.32,;28.47,-20.09,;28.47,-21.64,;27.14,-22.41,;25.8,-21.64,;24.33,-22.13,;23.42,-20.88,;24.32,-19.62,;23.84,-18.16,;24.87,-17.01,;22.33,-17.85,;21.85,-16.38,;20.75,-17.47,;22.55,-15.01,;21.17,-14.32,;20.69,-12.86,;20.48,-15.69,;25.8,-20.1,;27.13,-19.33,;29.95,-17.78,;28.93,-16.65,;29.39,-15.19,;30.89,-14.86,;31.36,-13.39,;31.93,-16,;31.46,-17.46,)|
Show InChI InChI=1S/C20H20FN7O/c1-20(6-11(22)7-20)26-19(29)13-8-23-18-17(13)25-14(9-24-18)16-12-4-3-10(21)5-15(12)28(2)27-16/h3-5,8-9,11H,6-7,22H2,1-2H3,(H,23,24)(H,26,29)/t11-,20+
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n/an/a 4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10110
PNG
((3Z)-5-fluoro-4-[2-(4-hydroxyoxan-4-yl)ethynyl]-3-...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#CC3(O)CCOCC3)c12
Show InChI InChI=1S/C21H19FN2O4/c1-27-18-5-9-23-17(18)12-14-19-13(4-6-21(26)7-10-28-11-8-21)15(22)2-3-16(19)24-20(14)25/h2-3,5,9,12,23,26H,7-8,10-11H2,1H3,(H,24,25)/b14-12-
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n/an/a 4n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10113
PNG
((3Z)-5-fluoro-4-{2-[(2S,4R)-4-hydroxypyrrolidin-2-...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H]3C[C@@H](O)CN3)c12 |r|
Show InChI InChI=1S/C20H18FN3O3/c1-27-18-6-7-22-17(18)9-14-19-13(3-2-11-8-12(25)10-23-11)15(21)4-5-16(19)24-20(14)26/h4-7,9,11-12,22-23,25H,8,10H2,1H3,(H,24,26)/b14-9-/t11-,12-/m1/s1
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n/an/a 4n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431367
PNG
(CHEMBL2347994)
Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C2CCNCC2)c2cc(F)ccc12
Show InChI InChI=1S/C23H26FN7O/c1-23(2,3)29-22(32)16-11-26-21-20(16)28-17(12-27-21)19-15-5-4-13(24)10-18(15)31(30-19)14-6-8-25-9-7-14/h4-5,10-12,14,25H,6-9H2,1-3H3,(H,26,27)(H,29,32)
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n/an/a 4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10095
PNG
((3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methyli...)
Show SMILES CNCC#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F
Show InChI InChI=1S/C18H16FN3O2/c1-20-8-3-4-11-13(19)5-6-14-17(11)12(18(23)22-14)10-15-16(24-2)7-9-21-15/h5-7,9-10,20-21H,8H2,1-2H3,(H,22,23)/b12-10-
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n/an/a 4n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10098
PNG
((3Z)-4-(4-amino-3-hydroxybut-1-yn-1-yl)-5-fluoro-3...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#CC(O)CN)c12
Show InChI InChI=1S/C18H16FN3O3/c1-25-16-6-7-21-15(16)8-12-17-11(3-2-10(23)9-20)13(19)4-5-14(17)22-18(12)24/h4-8,10,21,23H,9,20H2,1H3,(H,22,24)/b12-8-
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n/an/a 4n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431376
PNG
(CHEMBL2347417)
Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCCN2CC(C2)C#N)c2ccc(OC(F)F)cc12
Show InChI InChI=1S/C26H28F2N8O2/c1-26(2,3)33-24(37)18-11-30-23-22(18)32-19(12-31-23)21-17-9-16(38-25(27)28)5-6-20(17)36(34-21)8-4-7-35-13-15(10-29)14-35/h5-6,9,11-12,15,25H,4,7-8,13-14H2,1-3H3,(H,30,31)(H,33,37)
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n/an/a 4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10100
PNG
((3Z)-5-fluoro-4-[(3S)-4-hydroxy-3-(methylamino)but...)
Show SMILES CN[C@H](CO)C#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F |r|
Show InChI InChI=1S/C19H18FN3O3/c1-21-11(10-24)3-4-12-14(20)5-6-15-18(12)13(19(25)23-15)9-16-17(26-2)7-8-22-16/h5-9,11,21-22,24H,10H2,1-2H3,(H,23,25)/b13-9-/t11-/m0/s1
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n/an/a 4n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10084
PNG
((3Z)-4-(4-hydroxypiperidin-1-yl)-3-[(3-methoxy-1H-...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCC(O)CC3)c12)N(=O)=O
Show InChI InChI=1S/C19H20N4O5/c1-28-16-4-7-20-14(16)10-12-17-13(21-19(12)25)2-3-15(23(26)27)18(17)22-8-5-11(24)6-9-22/h2-4,7,10-11,20,24H,5-6,8-9H2,1H3,(H,21,25)/b12-10-
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n/an/a 4n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431389
PNG
(CHEMBL2348854)
Show SMILES Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2ccc(F)cc12
Show InChI InChI=1S/C19H19FN6O/c1-19(2,3)24-18(27)12-8-21-17-16(12)23-13(9-22-17)15-11-6-5-10(20)7-14(11)26(4)25-15/h5-9H,1-4H3,(H,21,22)(H,24,27)
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n/an/a 4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431370
PNG
(CHEMBL2347991)
Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCC(O)CO)c2cc(F)ccc12
Show InChI InChI=1S/C22H25FN6O3/c1-22(2,3)27-21(32)15-9-24-20-19(15)26-16(10-25-20)18-14-5-4-12(23)8-17(14)29(28-18)7-6-13(31)11-30/h4-5,8-10,13,30-31H,6-7,11H2,1-3H3,(H,24,25)(H,27,32)
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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50444358
PNG
(CHEMBL3094437)
Show SMILES NCCC(NC(=O)c1ccc(Cl)c(NC(=O)c2cc3cnc(nc3[nH]c2=O)N2CC3CCC(C2)O3)c1)c1ccccc1
Show InChI InChI=1S/C30H30ClN7O4/c31-23-9-6-18(27(39)34-24(10-11-32)17-4-2-1-3-5-17)13-25(23)35-28(40)22-12-19-14-33-30(37-26(19)36-29(22)41)38-15-20-7-8-21(16-38)42-20/h1-6,9,12-14,20-21,24H,7-8,10-11,15-16,32H2,(H,34,39)(H,35,40)(H,33,36,37,41)
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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Bioorg Med Chem Lett 23: 6610-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10089
PNG
((3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-n...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(NC3CCNCC3)c12)N(=O)=O
Show InChI InChI=1S/C19H21N5O4/c1-28-16-6-9-21-14(16)10-12-17-13(23-19(12)25)2-3-15(24(26)27)18(17)22-11-4-7-20-8-5-11/h2-3,6,9-11,20-22H,4-5,7-8H2,1H3,(H,23,25)/b12-10-
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10080
PNG
((+)-(S)-(Z)-1-[3-(3-Methoxy-1H-pyrrol-2-ylmethylen...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@@H](C3)C(N)=O)c12)N(=O)=O |r|
Show InChI InChI=1S/C19H19N5O5/c1-29-15-4-6-21-13(15)8-11-16-12(22-19(11)26)2-3-14(24(27)28)17(16)23-7-5-10(9-23)18(20)25/h2-4,6,8,10,21H,5,7,9H2,1H3,(H2,20,25)(H,22,26)/b11-8-/t10-/m0/s1
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10088
PNG
((3Z)-4-{[(1S,3S)-3-aminocyclopentyl]amino}-3-[(3-m...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N[C@H]3CC[C@H](N)C3)c12)N(=O)=O |r|
Show InChI InChI=1S/C19H21N5O4/c1-28-16-6-7-21-14(16)9-12-17-13(23-19(12)25)4-5-15(24(26)27)18(17)22-11-3-2-10(20)8-11/h4-7,9-11,21-22H,2-3,8,20H2,1H3,(H,23,25)/b12-9-/t10-,11-/m0/s1
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10087
PNG
((3Z)-4-{[(1S,3S)-3-hydroxycyclopentyl]amino}-3-[(3...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N[C@H]3CC[C@H](O)C3)c12)N(=O)=O |r|
Show InChI InChI=1S/C19H20N4O5/c1-28-16-6-7-20-14(16)9-12-17-13(22-19(12)25)4-5-15(23(26)27)18(17)21-10-2-3-11(24)8-10/h4-7,9-11,20-21,24H,2-3,8H2,1H3,(H,22,25)/b12-9-/t10-,11-/m0/s1
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10101
PNG
((3Z)-4-[(3R)-3-amino-4-hydroxybut-1-yn-1-yl]-5-flu...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](N)CO)c12 |r|
Show InChI InChI=1S/C18H16FN3O3/c1-25-16-6-7-21-15(16)8-12-17-11(3-2-10(20)9-23)13(19)4-5-14(17)22-18(12)24/h4-8,10,21,23H,9,20H2,1H3,(H,22,24)/b12-8-/t10-/m1/s1
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10082
PNG
((+)-(S)-(Z)-4-(3-Hydroxy-pyrrolidinyl)-3-(3-methox...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@H](O)C3)c12)N(=O)=O |r|
Show InChI InChI=1S/C18H18N4O5/c1-27-15-4-6-19-13(15)8-11-16-12(20-18(11)24)2-3-14(22(25)26)17(16)21-7-5-10(23)9-21/h2-4,6,8,10,19,23H,5,7,9H2,1H3,(H,20,24)/b11-8-/t10-/m0/s1
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431384
PNG
(CHEMBL2348858)
Show SMILES Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(CO)ccc12
Show InChI InChI=1S/C20H22N6O2/c1-20(2,3)24-19(28)13-8-21-18-17(13)23-14(9-22-18)16-12-7-11(10-27)5-6-15(12)26(4)25-16/h5-9,27H,10H2,1-4H3,(H,21,22)(H,24,28)
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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10114
PNG
((3Z)-5-fluoro-4-{2-[(2S,4S)-4-hydroxypyrrolidin-2-...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H]3C[C@H](O)CN3)c12 |r|
Show InChI InChI=1S/C20H18FN3O3/c1-27-18-6-7-22-17(18)9-14-19-13(3-2-11-8-12(25)10-23-11)15(21)4-5-16(19)24-20(14)26/h4-7,9,11-12,22-23,25H,8,10H2,1H3,(H,24,26)/b14-9-/t11-,12+/m1/s1
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431395
PNG
(CHEMBL2347415)
Show SMILES CN(C)CCCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc12
Show InChI InChI=1S/C24H29F2N7O2/c1-24(2,3)30-22(34)16-12-27-21-20(16)29-17(13-28-21)19-15-11-14(35-23(25)26)7-8-18(15)33(31-19)10-6-9-32(4)5/h7-8,11-13,23H,6,9-10H2,1-5H3,(H,27,28)(H,30,34)
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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10090
PNG
((3Z)-4-(4-aminopiperidin-1-yl)-3-[(3-methoxy-1H-py...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCC(N)CC3)c12)N(=O)=O
Show InChI InChI=1S/C19H21N5O4/c1-28-16-4-7-21-14(16)10-12-17-13(22-19(12)25)2-3-15(24(26)27)18(17)23-8-5-11(20)6-9-23/h2-4,7,10-11,21H,5-6,8-9,20H2,1H3,(H,22,25)/b12-10-
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10139
PNG
(3-[9-fluoro-3-oxo-5-(1H-pyrrol-2-yl)-2-azatricyclo...)
Show SMILES Fc1ccc2NC(=O)c3c(cc(CCC#N)c1c23)-c1ccc[nH]1
Show InChI InChI=1S/C18H12FN3O/c19-12-5-6-14-17-15(12)10(3-1-7-20)9-11(13-4-2-8-21-13)16(17)18(23)22-14/h2,4-6,8-9,21H,1,3H2,(H,22,23)
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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/j.bmc.2006.10.050
BindingDB Entry DOI: 10.7270/Q2W37TJG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431371
PNG
(CHEMBL2347989)
Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCCS(C)(=O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C22H25FN6O3S/c1-22(2,3)27-21(30)15-11-24-20-19(15)26-16(12-25-20)18-14-7-6-13(23)10-17(14)29(28-18)8-5-9-33(4,31)32/h6-7,10-12H,5,8-9H2,1-4H3,(H,24,25)(H,27,30)
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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10131
PNG
(9-fluoro-5-(1H-pyrrol-2-yl)-7-[(3S)-pyrrolidin-3-y...)
Show SMILES Fc1ccc2NC(=O)c3c(cc(S[C@H]4CCNC4)c1c23)-c1ccc[nH]1 |r|
Show InChI InChI=1S/C19H16FN3OS/c20-12-3-4-14-18-16(19(24)23-14)11(13-2-1-6-22-13)8-15(17(12)18)25-10-5-7-21-9-10/h1-4,6,8,10,21-22H,5,7,9H2,(H,23,24)/t10-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/j.bmc.2006.10.050
BindingDB Entry DOI: 10.7270/Q2W37TJG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10111
PNG
((3Z)-5-fluoro-4-[2-(4-hydroxypiperidin-4-yl)ethyny...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#CC3(O)CCNCC3)c12
Show InChI InChI=1S/C21H20FN3O3/c1-28-18-5-9-24-17(18)12-14-19-13(4-6-21(27)7-10-23-11-8-21)15(22)2-3-16(19)25-20(14)26/h2-3,5,9,12,23-24,27H,7-8,10-11H2,1H3,(H,25,26)/b14-12-
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n/an/a 6n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10079
PNG
((Z)-1-[3-(3-Methoxy-1H-pyrrol-2-ylmethylene)-5-nit...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCCC(C3)C(N)=O)c12)N(=O)=O
Show InChI InChI=1S/C20H21N5O5/c1-30-16-6-7-22-14(16)9-12-17-13(23-20(12)27)4-5-15(25(28)29)18(17)24-8-2-3-11(10-24)19(21)26/h4-7,9,11,22H,2-3,8,10H2,1H3,(H2,21,26)(H,23,27)/b12-9-
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n/an/a 6n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50444361
PNG
(CHEMBL3094434)
Show SMILES CN1CCN(CCCNc2ncc3cc(C(=O)Nc4cc(ccc4Cl)C(=O)NC(CCN)c4ccccc4)c(=O)[nH]c3n2)CC1
Show InChI InChI=1S/C32H38ClN9O3/c1-41-14-16-42(17-15-41)13-5-12-35-32-36-20-23-18-24(31(45)39-28(23)40-32)30(44)38-27-19-22(8-9-25(27)33)29(43)37-26(10-11-34)21-6-3-2-4-7-21/h2-4,6-9,18-20,26H,5,10-17,34H2,1H3,(H,37,43)(H,38,44)(H2,35,36,39,40,45)
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n/an/a 6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Bioorg Med Chem Lett 23: 6610-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431387
PNG
(CHEMBL2348856)
Show SMILES Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)c2ccc(Cl)cc12
Show InChI InChI=1S/C19H19ClN6O2/c1-19(2,9-27)24-18(28)12-7-21-17-16(12)23-13(8-22-17)15-11-5-4-10(20)6-14(11)26(3)25-15/h4-8,27H,9H2,1-3H3,(H,21,22)(H,24,28)
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n/an/a 6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10086
PNG
((3Z)-4-[(4-hydroxycyclohexyl)amino]-3-[(3-methoxy-...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N[C@H]3CC[C@H](O)CC3)c12)N(=O)=O |r,wU:18.18,wD:21.22,(-1.62,8.42,;-2.28,7.03,;-1.41,5.77,;.13,5.72,;.56,4.25,;-.71,3.38,;-1.93,4.31,;-3.43,3.99,;-3.91,2.53,;-3,1.28,;-1.46,1.28,;-3.91,.04,;-5.37,.51,;-6.71,-.26,;-8.04,.51,;-8.04,2.05,;-6.71,2.82,;-6.71,4.36,;-7.8,5.45,;-9.34,5.5,;-10.06,6.86,;-9.25,8.17,;-9.98,9.52,;-7.71,8.12,;-6.99,6.76,;-5.37,2.05,;-9.38,2.82,;-9.38,4.36,;-10.71,2.05,)|
Show InChI InChI=1S/C20H22N4O5/c1-29-17-8-9-21-15(17)10-13-18-14(23-20(13)26)6-7-16(24(27)28)19(18)22-11-2-4-12(25)5-3-11/h6-12,21-22,25H,2-5H2,1H3,(H,23,26)/b13-10-/t11-,12-
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n/an/a 6n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50400046
PNG
(CHEMBL2177737)
Show SMILES COc1ccc(Nc2nc(nc3scnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)C(O)=O)cc1OC
Show InChI InChI=1S/C27H21N5O5S/c1-36-20-11-10-19(13-21(20)37-2)29-24-22-26(38-14-28-22)32-23(31-24)16-4-3-5-17(12-16)25(33)30-18-8-6-15(7-9-18)27(34)35/h3-14H,1-2H3,(H,30,33)(H,34,35)(H,29,31,32)
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n/an/a 7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis


J Med Chem 55: 10414-23 (2012)


Article DOI: 10.1021/jm301367c
BindingDB Entry DOI: 10.7270/Q2057H23
More data for this
Ligand-Target Pair
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