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BDBM50389219 CHEMBL2063333

SMILES: Cc1cc(COC(=O)NCc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)no1

InChI Key: InChIKey=AMJQDHGVBVICLP-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50389219   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50389219
PNG
(CHEMBL2063333)
Show SMILES Cc1cc(COC(=O)NCc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)no1
Show InChI InChI=1S/C29H32N6O6/c1-20-16-24(34-41-20)19-40-29(37)30-18-21-2-4-22(5-3-21)26-17-27(33-32-26)31-28(36)23-6-8-25(9-7-23)39-15-12-35-10-13-38-14-11-35/h2-9,16-17H,10-15,18-19H2,1H3,(H,30,37)(H2,31,32,33,36)
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n/an/a>1.00E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 22: 4654-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.116
BindingDB Entry DOI: 10.7270/Q2XS5WGV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50389219
PNG
(CHEMBL2063333)
Show SMILES Cc1cc(COC(=O)NCc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)no1
Show InChI InChI=1S/C29H32N6O6/c1-20-16-24(34-41-20)19-40-29(37)30-18-21-2-4-22(5-3-21)26-17-27(33-32-26)31-28(36)23-6-8-25(9-7-23)39-15-12-35-10-13-38-14-11-35/h2-9,16-17H,10-15,18-19H2,1H3,(H,30,37)(H2,31,32,33,36)
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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1


Bioorg Med Chem Lett 22: 4654-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.116
BindingDB Entry DOI: 10.7270/Q2XS5WGV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50389219
PNG
(CHEMBL2063333)
Show SMILES Cc1cc(COC(=O)NCc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)no1
Show InChI InChI=1S/C29H32N6O6/c1-20-16-24(34-41-20)19-40-29(37)30-18-21-2-4-22(5-3-21)26-17-27(33-32-26)31-28(36)23-6-8-25(9-7-23)39-15-12-35-10-13-38-14-11-35/h2-9,16-17H,10-15,18-19H2,1H3,(H,30,37)(H2,31,32,33,36)
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PubMed
n/an/a 52n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3


Bioorg Med Chem Lett 22: 4654-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.116
BindingDB Entry DOI: 10.7270/Q2XS5WGV
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50389219
PNG
(CHEMBL2063333)
Show SMILES Cc1cc(COC(=O)NCc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)no1
Show InChI InChI=1S/C29H32N6O6/c1-20-16-24(34-41-20)19-40-29(37)30-18-21-2-4-22(5-3-21)26-17-27(33-32-26)31-28(36)23-6-8-25(9-7-23)39-15-12-35-10-13-38-14-11-35/h2-9,16-17H,10-15,18-19H2,1H3,(H,30,37)(H2,31,32,33,36)
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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 22: 4654-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.116
BindingDB Entry DOI: 10.7270/Q2XS5WGV
More data for this
Ligand-Target Pair