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PubMed code 21982797

Compile data set for download or QSAR
Found 128 hits of Enzyme Inhibition Constant Data   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50358245
PNG
(CHEMBL1922225)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-26,29H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,28-/m1/s1
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n/an/a 1.48E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SRC using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50358247
PNG
(ASTROGORGIADIOL)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
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n/an/a 1.91E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SRC using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50358246
PNG
(CHEMBL456936)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1
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n/an/a 2.17E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SRC using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50358244
PNG
(CALICOFEROL A)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1
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n/an/a 2.24E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SRC using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50358245
PNG
(CHEMBL1922225)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-26,29H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,28-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF1-R using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50358243
PNG
(CHEMBL1922224)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-26,28-29H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,26+,27-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SRC using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50358244
PNG
(CALICOFEROL A)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1
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n/an/a 2.42E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF1-R using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50358246
PNG
(CHEMBL456936)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1
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n/an/a 2.46E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF1-R using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50358247
PNG
(ASTROGORGIADIOL)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
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n/an/a 2.77E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF1-R using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50358243
PNG
(CHEMBL1922224)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-26,28-29H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,26+,27-/m1/s1
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n/an/a 3.16E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF1-R using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50358244
PNG
(CALICOFEROL A)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1
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n/an/a 4.16E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ALK


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50358247
PNG
(ASTROGORGIADIOL)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
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n/an/a 4.35E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGF-R2 using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50358245
PNG
(CHEMBL1922225)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-26,29H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,28-/m1/s1
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n/an/a 4.36E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ALK


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50358244
PNG
(CALICOFEROL A)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGF-R2 using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50358246
PNG
(CHEMBL456936)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1
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n/an/a 4.73E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ALK


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50358245
PNG
(CHEMBL1922225)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-26,29H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,28-/m1/s1
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n/an/a 4.85E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGF-R2 using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50358243
PNG
(CHEMBL1922224)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-26,28-29H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,26+,27-/m1/s1
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n/an/a 4.95E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGF-R2 using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50358246
PNG
(CHEMBL456936)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1
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n/an/a 6.01E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGF-R2 using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50358247
PNG
(ASTROGORGIADIOL)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
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n/an/a 7.55E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ALK


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50358243
PNG
(CHEMBL1922224)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-26,28-29H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,26+,27-/m1/s1
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n/an/a 9.33E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ALK


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50358246
PNG
(CHEMBL456936)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1
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n/an/a 9.63E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAK using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50358244
PNG
(CALICOFEROL A)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1
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n/an/a 9.92E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAK using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50358245
PNG
(CHEMBL1922225)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-26,29H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,28-/m1/s1
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n/an/a 1.07E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAK using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50358247
PNG
(ASTROGORGIADIOL)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
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n/an/a 1.32E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAK using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50358244
PNG
(CALICOFEROL A)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1
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n/an/a 1.47E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AXL


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50358247
PNG
(ASTROGORGIADIOL)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
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n/an/a 1.69E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AXL


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50358243
PNG
(CHEMBL1922224)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-26,28-29H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,26+,27-/m1/s1
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n/an/a 1.69E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAK using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50358245
PNG
(CHEMBL1922225)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-26,29H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,28-/m1/s1
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n/an/a 2.02E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AXL


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50358243
PNG
(CHEMBL1922224)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-26,28-29H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,26+,27-/m1/s1
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n/an/a 2.19E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AXL


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50358247
PNG
(ASTROGORGIADIOL)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
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n/an/a 2.51E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Aurora-B using tetra(LRRWLSG) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50358245
PNG
(CHEMBL1922225)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-26,29H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,28-/m1/s1
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n/an/a 2.75E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of wild type human MET using poly(Ala,Glu,Lys,Tyr) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50358246
PNG
(CHEMBL456936)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1
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n/an/a 3.26E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AXL


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50358243
PNG
(CHEMBL1922224)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-26,28-29H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,26+,27-/m1/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of wild type human MET using poly(Ala,Glu,Lys,Tyr) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50358243
PNG
(CHEMBL1922224)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-26,28-29H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,26+,27-/m1/s1
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n/an/a 3.81E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Aurora-B using tetra(LRRWLSG) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50358244
PNG
(CALICOFEROL A)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1
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n/an/a 4.76E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of wild type human MET using poly(Ala,Glu,Lys,Tyr) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50358247
PNG
(ASTROGORGIADIOL)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
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n/an/a 4.89E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of wild type human MEK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50358246
PNG
(CHEMBL456936)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1
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n/an/a 7.15E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of wild type human MET using poly(Ala,Glu,Lys,Tyr) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50358247
PNG
(ASTROGORGIADIOL)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
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n/an/a 7.80E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of wild type human MET using poly(Ala,Glu,Lys,Tyr) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50358244
PNG
(CALICOFEROL A)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PLK1 using casein as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50358250
PNG
(CALICOFEROL B)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-26,28-30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SRC using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50358248
PNG
(CHEMBL456294)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Aurora-B using tetra(LRRWLSG) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50358244
PNG
(CALICOFEROL A)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ARK5


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50358246
PNG
(CHEMBL456936)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ARK5


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50358248
PNG
(CHEMBL456294)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AXL


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50358244
PNG
(CALICOFEROL A)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of wild type human MEK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50358246
PNG
(CHEMBL456936)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of wild type human MEK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50358244
PNG
(CALICOFEROL A)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK2


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50358245
PNG
(CHEMBL1922225)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-26,29H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK2


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens (Human))
BDBM50358248
PNG
(CHEMBL456294)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK6


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50358245
PNG
(CHEMBL1922225)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-26,29H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,28-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PLK1 using casein as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50358250
PNG
(CALICOFEROL B)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-26,28-30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PLK1 using casein as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
BDBM50358248
PNG
(CHEMBL456294)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PRK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50358249
PNG
(CHEMBL515982)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SRC using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50358244
PNG
(CALICOFEROL A)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Aurora-B using tetra(LRRWLSG) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50358245
PNG
(CHEMBL1922225)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-26,29H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ARK5


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50358247
PNG
(ASTROGORGIADIOL)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ARK5


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50358249
PNG
(CHEMBL515982)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF1-R using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50358243
PNG
(CHEMBL1922224)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-26,28-29H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,26+,27-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of wild type human MEK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50358243
PNG
(CHEMBL1922224)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-26,28-29H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,26+,27-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK2


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50358249
PNG
(CHEMBL515982)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PIM1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50358247
PNG
(ASTROGORGIADIOL)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PLK1 using casein as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
BDBM50358246
PNG
(CHEMBL456936)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PRK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50358249
PNG
(CHEMBL515982)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Aurora-B using tetra(LRRWLSG) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50358249
PNG
(CHEMBL515982)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKT1 using GSK3 (amino acids 14 to 27) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50358250
PNG
(CALICOFEROL B)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-26,28-30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ALK


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50358249
PNG
(CHEMBL515982)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AXL


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50358249
PNG
(CHEMBL515982)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of wild type human MET using poly(Ala,Glu,Lys,Tyr) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50358246
PNG
(CHEMBL456936)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK2


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50358248
PNG
(CHEMBL456294)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,25+,26+,27+/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK2


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50358243
PNG
(CHEMBL1922224)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-26,28-29H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,26+,27-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PIM1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50358243
PNG
(CHEMBL1922224)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-26,28-29H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,26+,27-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PLK1 using casein as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
BDBM50358249
PNG
(CHEMBL515982)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PRK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50358245
PNG
(CHEMBL1922225)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-26,29H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Aurora-B using tetra(LRRWLSG) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50358248
PNG
(CHEMBL456294)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKT1 using GSK3 (amino acids 14 to 27) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50358248
PNG
(CHEMBL456294)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,25+,26+,27+/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of wild type human MEK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50358250
PNG
(CALICOFEROL B)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-26,28-30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27+/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of wild type human MEK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50358250
PNG
(CALICOFEROL B)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-26,28-30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27+/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of wild type human MET using poly(Ala,Glu,Lys,Tyr) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50358249
PNG
(CHEMBL515982)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK2


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens (Human))
BDBM50358245
PNG
(CHEMBL1922225)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-26,29H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK6


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens (Human))
BDBM50358246
PNG
(CHEMBL456936)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK6


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50358250
PNG
(CALICOFEROL B)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-26,28-30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PIM1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
BDBM50358243
PNG
(CHEMBL1922224)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-26,28-29H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,26+,27-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PRK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
BDBM50358245
PNG
(CHEMBL1922225)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-26,29H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,28-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PRK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50358249
PNG
(CHEMBL515982)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGF-R2 using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50358250
PNG
(CALICOFEROL B)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-26,28-30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGF-R2 using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50358247
PNG
(ASTROGORGIADIOL)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKT1 using GSK3 (amino acids 14 to 27) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50358249
PNG
(CHEMBL515982)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ALK


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50358248
PNG
(CHEMBL456294)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ARK5


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50358249
PNG
(CHEMBL515982)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ARK5


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50358245
PNG
(CHEMBL1922225)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-26,29H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of wild type human MEK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens (Human))
BDBM50358244
PNG
(CALICOFEROL A)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK6


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens (Human))
BDBM50358249
PNG
(CHEMBL515982)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK6


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50358248
PNG
(CHEMBL456294)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,25+,26+,27+/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PIM1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50358248
PNG
(CHEMBL456294)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGF-R2 using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50358243
PNG
(CHEMBL1922224)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-26,28-29H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,26+,27-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKT1 using GSK3 (amino acids 14 to 27) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50358244
PNG
(CALICOFEROL A)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKT1 using GSK3 (amino acids 14 to 27) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50358245
PNG
(CHEMBL1922225)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-26,29H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,28-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKT1 using GSK3 (amino acids 14 to 27) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50358250
PNG
(CALICOFEROL B)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-26,28-30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AXL


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50358248
PNG
(CHEMBL456294)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAK using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50358249
PNG
(CHEMBL515982)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of wild type human MEK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens (Human))
BDBM50358243
PNG
(CHEMBL1922224)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-26,28-29H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,26+,27-/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK6


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens (Human))
BDBM50358250
PNG
(CALICOFEROL B)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-26,28-30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27+/m1/s1
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK6


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50358246
PNG
(CHEMBL456936)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PIM1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50358247
PNG
(ASTROGORGIADIOL)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PIM1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50358246
PNG
(CHEMBL456936)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PLK1 using casein as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50358249
PNG
(CHEMBL515982)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PLK1 using casein as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
BDBM50358244
PNG
(CALICOFEROL A)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PRK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
BDBM50358250
PNG
(CALICOFEROL B)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-26,28-30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PRK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50358248
PNG
(CHEMBL456294)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SRC using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50358249
PNG
(CHEMBL515982)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAK using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50358250
PNG
(CALICOFEROL B)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-26,28-30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAK using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50358247
PNG
(ASTROGORGIADIOL)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK2


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens (Human))
BDBM50358247
PNG
(ASTROGORGIADIOL)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK6


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50358244
PNG
(CALICOFEROL A)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PIM1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50358248
PNG
(CHEMBL456294)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PLK1 using casein as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
BDBM50358247
PNG
(ASTROGORGIADIOL)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PRK1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50358250
PNG
(CALICOFEROL B)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-26,28-30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Aurora-B using tetra(LRRWLSG) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50358246
PNG
(CHEMBL456936)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Aurora-B using tetra(LRRWLSG) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50358246
PNG
(CHEMBL456936)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKT1 using GSK3 (amino acids 14 to 27) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50358250
PNG
(CALICOFEROL B)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-26,28-30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKT1 using GSK3 (amino acids 14 to 27) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50358248
PNG
(CHEMBL456294)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ALK


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50358243
PNG
(CHEMBL1922224)
Show SMILES CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-26,28-29H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,26+,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ARK5


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50358250
PNG
(CALICOFEROL B)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-26,28-30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ARK5


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50358248
PNG
(CHEMBL456294)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF1-R using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50358250
PNG
(CALICOFEROL B)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-26,28-30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF1-R using poly(Glu,Tyr)4:1 as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50358248
PNG
(CHEMBL456294)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,25+,26+,27+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of wild type human MET using poly(Ala,Glu,Lys,Tyr) as substrate


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50358250
PNG
(CALICOFEROL B)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C27H44O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-26,28-30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEK2


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50358245
PNG
(CHEMBL1922225)
Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
Show InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-26,29H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PIM1


Bioorg Med Chem 19: 6873-80 (2011)


Article DOI: 10.1016/j.bmc.2011.09.028
BindingDB Entry DOI: 10.7270/Q2HX1D38
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%