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PubMed code 26318067

Compile data set for download or QSAR
Found 34 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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of Jak3 (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of Lyn (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of FMS (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of FGFR2 (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of GSK3b (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of BRAF V599E mutant (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 4.60n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of AKT1 (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of FGFR3 (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50121690
PNG
(CHEMBL3616960)
Show SMILES CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(NC(=O)c2cnoc2C)c1
Show InChI InChI=1S/C25H26F3N5O3/c1-15-4-5-19(13-22(15)31-24(35)21-14-29-36-16(21)2)30-23(34)17-10-18(25(26,27)28)12-20(11-17)33-8-6-32(3)7-9-33/h4-5,10-14H,6-9H2,1-3H3,(H,30,34)(H,31,35)
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n/an/a 10n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of FMS (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

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))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of BRAF (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50121690
PNG
(CHEMBL3616960)
Show SMILES CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(NC(=O)c2cnoc2C)c1
Show InChI InChI=1S/C25H26F3N5O3/c1-15-4-5-19(13-22(15)31-24(35)21-14-29-36-16(21)2)30-23(34)17-10-18(25(26,27)28)12-20(11-17)33-8-6-32(3)7-9-33/h4-5,10-14H,6-9H2,1-3H3,(H,30,34)(H,31,35)
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n/an/a 45n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50121690
PNG
(CHEMBL3616960)
Show SMILES CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(NC(=O)c2cnoc2C)c1
Show InChI InChI=1S/C25H26F3N5O3/c1-15-4-5-19(13-22(15)31-24(35)21-14-29-36-16(21)2)30-23(34)17-10-18(25(26,27)28)12-20(11-17)33-8-6-32(3)7-9-33/h4-5,10-14H,6-9H2,1-3H3,(H,30,34)(H,31,35)
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n/an/a 66n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of Lyn (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 84n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 179n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 192n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50121691
PNG
(CHEMBL3616990)
Show SMILES Cc1oncc1NC(=O)c1ccccc1C
Show InChI InChI=1S/C12H12N2O2/c1-8-5-3-4-6-10(8)12(15)14-11-7-13-16-9(11)2/h3-7H,1-2H3,(H,14,15)
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n/an/a 216n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of FMS (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 283n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 326n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of RON (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50121690
PNG
(CHEMBL3616960)
Show SMILES CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(NC(=O)c2cnoc2C)c1
Show InChI InChI=1S/C25H26F3N5O3/c1-15-4-5-19(13-22(15)31-24(35)21-14-29-36-16(21)2)30-23(34)17-10-18(25(26,27)28)12-20(11-17)33-8-6-32(3)7-9-33/h4-5,10-14H,6-9H2,1-3H3,(H,30,34)(H,31,35)
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n/an/a 668n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of BRAF V599E mutant (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50121690
PNG
(CHEMBL3616960)
Show SMILES CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(NC(=O)c2cnoc2C)c1
Show InChI InChI=1S/C25H26F3N5O3/c1-15-4-5-19(13-22(15)31-24(35)21-14-29-36-16(21)2)30-23(34)17-10-18(25(26,27)28)12-20(11-17)33-8-6-32(3)7-9-33/h4-5,10-14H,6-9H2,1-3H3,(H,30,34)(H,31,35)
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n/an/a 5.96E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of BRAF (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 6.54E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of ErK1 (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 9.90E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%