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BDBM50509949 CHEMBL4475216

SMILES: COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N

InChI Key: InChIKey=KKJMPXBLFLQRJJ-QGZVFWFLSA-N

Data: 38 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 50509949   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK2 (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of INSR (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of ROS (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Muscle, skeletal receptor tyrosine protein kinase


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of MUSK (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
EPHB1


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of EphB1 (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Receptor protein-tyrosine kinase erbB-4


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER4 (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of LTK (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of MET (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of TRKA (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of C-KIT (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of FLT1 (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of FGFR2 (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of FGFR3 (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of RON (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of EphA1 (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
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))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of TIE2 (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of AXL (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of FLT4 (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) incubated for 60 mins by caliper microfluidic mobility shift technology based assay


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of FGFR4 (unknown origin) incubated for 60 mins by caliper microfluidic mobility shift technology based assay


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK3 (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin)


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
More data for this
Ligand-Target Pair