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Compile Data Set for Download or QSAR

Found 135 hits with Last Name = 'wang' and Initial = 'wj'   
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
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50130929
PNG
(CHEMBL3633189)
Show SMILES NC(=N)c1ccc(Nc2ncnc(Nc3ccc(cc3)C#N)c2[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H14N8O2/c19-9-11-1-5-13(6-2-11)24-17-15(26(27)28)18(23-10-22-17)25-14-7-3-12(4-8-14)16(20)21/h1-8,10H,(H3,20,21)(H2,22,23,24,25)
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1.70E+3n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1


Bioorg Med Chem Lett 25: 5449-53 (2015)


BindingDB Entry DOI: 10.7270/Q2R2136F
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 20n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 22n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Flt3


Bioorg Med Chem Lett 25: 4534-8 (2015)


BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50123808
PNG
(CHEMBL3623372)
Show SMILES CN(C)CCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C24H29N7O3S/c1-24(2,3)19-12-20(29-34-19)28-22(33)26-16-8-6-15(7-9-16)17-13-31-18(14-35-23(31)27-17)21(32)25-10-11-30(4)5/h6-9,12-14H,10-11H2,1-5H3,(H,25,32)(H2,26,28,29,33)
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n/an/a 22n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Flt3


Bioorg Med Chem Lett 25: 4534-8 (2015)


BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 30n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERBB4 by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 43n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Fms


Bioorg Med Chem Lett 25: 4534-8 (2015)


BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 60n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERBB2 by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50123806
PNG
(CHEMBL3623373)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(csc3n2)C(=O)NCCS(C)(=O)=O)no1
Show InChI InChI=1S/C23H26N6O5S2/c1-23(2,3)18-11-19(28-34-18)27-21(31)25-15-7-5-14(6-8-15)16-12-29-17(13-35-22(29)26-16)20(30)24-9-10-36(4,32)33/h5-8,11-13H,9-10H2,1-4H3,(H,24,30)(H2,25,27,28,31)
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n/an/a 95n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Flt3


Bioorg Med Chem Lett 25: 4534-8 (2015)


BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 230n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 290n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SRC by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 294n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ckit


Bioorg Med Chem Lett 25: 4534-8 (2015)


BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 370n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRalpha


Bioorg Med Chem Lett 25: 4534-8 (2015)


BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 400n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human NCI-H1975 cells assessed as reduction in AKT phosphorylation incubated for 8 hrs by Western blotting method


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 400n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human NCI-H1975 cells assessed as reduction in ERK phosphorylation incubated for 8 hrs by Western blotting method


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 400n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 (unknown origin) using biotinylated histone H4-derived peptide as substrate after 60 mins by AlphaLISA assay


Bioorg Med Chem Lett 25: 5449-53 (2015)


BindingDB Entry DOI: 10.7270/Q2R2136F
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 540n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KIT by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM223126
PNG
(P5i-7)
Show SMILES NC(=S)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H10ClN3OS/c13-9-3-1-8(2-4-9)11-6-5-10(17-11)7-15-16-12(14)18/h1-7H,(H3,14,16,18)/b15-7+
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n/an/a 720n/an/an/an/an/a25



Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 720n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SYK by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 986n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Ret


Bioorg Med Chem Lett 25: 4534-8 (2015)


BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 1.19E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Flt4


Bioorg Med Chem Lett 25: 4534-8 (2015)


BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JNK2 by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 1.98E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta


Bioorg Med Chem Lett 25: 4534-8 (2015)


BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50130929
PNG
(CHEMBL3633189)
Show SMILES NC(=N)c1ccc(Nc2ncnc(Nc3ccc(cc3)C#N)c2[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H14N8O2/c19-9-11-1-5-13(6-2-11)24-17-15(26(27)28)18(23-10-22-17)25-14-7-3-12(4-8-14)16(20)21/h1-8,10H,(H3,20,21)(H2,22,23,24,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 (unknown origin) using biotinylated histone H4-derived peptide as substrate after 60 mins by AlphaLISA assay


Bioorg Med Chem Lett 25: 5449-53 (2015)


BindingDB Entry DOI: 10.7270/Q2R2136F
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM223131
PNG
(2-((5-(4-methoxyphenyl)furan-2-yl)methylene)hydraz...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=N\NC(N)=O)o1
Show InChI InChI=1S/C13H13N3O3/c1-18-10-4-2-9(3-5-10)12-7-6-11(19-12)8-15-16-13(14)17/h2-8H,1H3,(H3,14,16,17)/b15-8+
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n/an/a 2.10E+3n/an/an/an/an/a25



Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ALK by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 2.46E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDR


Bioorg Med Chem Lett 25: 4534-8 (2015)


BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK3 by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 2.83E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Flt1


Bioorg Med Chem Lett 25: 4534-8 (2015)


BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MNK2 by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1 by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM223136
PNG
(2-((6-(4-chlorophenyl)pyridin-2-yl)methylene)hydra...)
Show SMILES NC(=O)N\N=C\c1cccc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4O/c14-10-6-4-9(5-7-10)12-3-1-2-11(17-12)8-16-18-13(15)19/h1-8H,(H3,15,18,19)/b16-8+
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n/an/a 3.50E+3n/an/an/an/an/a25



Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM223134
PNG
(2-((4′-chloro-[1,1′-biphenyl]-3-yl)met...)
Show SMILES NC(=O)N\N=C\c1cccc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3O/c15-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-17-18-14(16)19/h1-9H,(H3,16,18,19)/b17-9+
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n/an/a 3.80E+3n/an/an/an/an/a25



Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 4.04E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1


Bioorg Med Chem Lett 25: 4534-8 (2015)


BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
Protein kinase N1


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKN1 by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MET by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TYK2 by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MNK1 by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM223135
PNG
(2-((5-(4-chlorophenyl)pyridin-3-yl)methylene)hydra...)
Show SMILES NC(=O)N\N=C\c1cncc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4O/c14-12-3-1-10(2-4-12)11-5-9(6-16-8-11)7-17-18-13(15)19/h1-8H,(H3,15,18,19)/b17-7+
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n/an/a 6.90E+3n/an/an/an/an/a25



Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50130932
PNG
(CHEMBL3633187)
Show SMILES NC(=N)c1ccc(Nc2ncnc(Nc3ccc(cc3)C(N)=O)c2[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H16N8O3/c19-15(20)10-1-5-12(6-2-10)24-17-14(26(28)29)18(23-9-22-17)25-13-7-3-11(4-8-13)16(21)27/h1-9H,(H3,19,20)(H2,21,27)(H2,22,23,24,25)
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n/an/a 9.30E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 (unknown origin) using biotinylated histone H4-derived peptide as substrate after 60 mins by AlphaLISA assay


Bioorg Med Chem Lett 25: 5449-53 (2015)


BindingDB Entry DOI: 10.7270/Q2R2136F
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-RAF


Bioorg Med Chem Lett 25: 4534-8 (2015)


BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CHK1


Bioorg Med Chem Lett 25: 4534-8 (2015)


BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK7


Bioorg Med Chem Lett 25: 4534-8 (2015)


BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2


Bioorg Med Chem Lett 25: 4534-8 (2015)


BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
CaM kinase IV


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CaMK4


Bioorg Med Chem Lett 25: 4534-8 (2015)


BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4534-8 (2015)


BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
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