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BDBM50236254 7-[(1E)-1-(ethoxyimino)ethyl]-19-methyl-3-(propan-2-yl)-3,13,19,20-tetraazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4,6,8,11(15),17,20-octaen-14-one::CHEMBL401896

SMILES: CCO\N=C(/C)c1ccc2n(C(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1

InChI Key: InChIKey=QGMACHJORMNYMR-FJEPWZHXSA-N

Data: 6 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50236254   
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 receptor


(Homo sapiens (Human))
BDBM50236254
PNG
(7-[(1E)-1-(ethoxyimino)ethyl]-19-methyl-3-(propan-...)
Show SMILES CCO\N=C(/C)c1ccc2n(C(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C27H29N5O2/c1-6-34-30-15(4)16-7-10-22-18(11-16)24-19-12-28-27(33)25(19)23-17(26(24)32(22)14(2)3)8-9-21-20(23)13-31(5)29-21/h7,10-11,13-14H,6,8-9,12H2,1-5H3,(H,28,33)/b30-15+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Cephalon Inc

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 18: 1916-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.001
BindingDB Entry DOI: 10.7270/Q27M07PV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50236254
PNG
(7-[(1E)-1-(ethoxyimino)ethyl]-19-methyl-3-(propan-...)
Show SMILES CCO\N=C(/C)c1ccc2n(C(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C27H29N5O2/c1-6-34-30-15(4)16-7-10-22-18(11-16)24-19-12-28-27(33)25(19)23-17(26(24)32(22)14(2)3)8-9-21-20(23)13-31(5)29-21/h7,10-11,13-14H,6,8-9,12H2,1-5H3,(H,28,33)/b30-15+
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n/an/a 4n/an/an/an/an/an/a



Cephalon Inc

Curated by ChEMBL


Assay Description
Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC cells at 50 nM relative to control


Bioorg Med Chem Lett 18: 1916-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.001
BindingDB Entry DOI: 10.7270/Q27M07PV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50236254
PNG
(7-[(1E)-1-(ethoxyimino)ethyl]-19-methyl-3-(propan-...)
Show SMILES CCO\N=C(/C)c1ccc2n(C(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C27H29N5O2/c1-6-34-30-15(4)16-7-10-22-18(11-16)24-19-12-28-27(33)25(19)23-17(26(24)32(22)14(2)3)8-9-21-20(23)13-31(5)29-21/h7,10-11,13-14H,6,8-9,12H2,1-5H3,(H,28,33)/b30-15+
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n/an/a 4n/an/an/an/an/an/a



Cephalon Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 by HTRF assay


Bioorg Med Chem Lett 18: 1916-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.001
BindingDB Entry DOI: 10.7270/Q27M07PV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50236254
PNG
(7-[(1E)-1-(ethoxyimino)ethyl]-19-methyl-3-(propan-...)
Show SMILES CCO\N=C(/C)c1ccc2n(C(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C27H29N5O2/c1-6-34-30-15(4)16-7-10-22-18(11-16)24-19-12-28-27(33)25(19)23-17(26(24)32(22)14(2)3)8-9-21-20(23)13-31(5)29-21/h7,10-11,13-14H,6,8-9,12H2,1-5H3,(H,28,33)/b30-15+
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n/an/a 14n/an/an/an/an/an/a



Cephalon Inc

Curated by ChEMBL


Assay Description
Inhibition of c-src


Bioorg Med Chem Lett 18: 1916-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.001
BindingDB Entry DOI: 10.7270/Q27M07PV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50236254
PNG
(7-[(1E)-1-(ethoxyimino)ethyl]-19-methyl-3-(propan-...)
Show SMILES CCO\N=C(/C)c1ccc2n(C(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C27H29N5O2/c1-6-34-30-15(4)16-7-10-22-18(11-16)24-19-12-28-27(33)25(19)23-17(26(24)32(22)14(2)3)8-9-21-20(23)13-31(5)29-21/h7,10-11,13-14H,6,8-9,12H2,1-5H3,(H,28,33)/b30-15+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Cephalon Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 1916-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.001
BindingDB Entry DOI: 10.7270/Q27M07PV
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50236254
PNG
(7-[(1E)-1-(ethoxyimino)ethyl]-19-methyl-3-(propan-...)
Show SMILES CCO\N=C(/C)c1ccc2n(C(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C27H29N5O2/c1-6-34-30-15(4)16-7-10-22-18(11-16)24-19-12-28-27(33)25(19)23-17(26(24)32(22)14(2)3)8-9-21-20(23)13-31(5)29-21/h7,10-11,13-14H,6,8-9,12H2,1-5H3,(H,28,33)/b30-15+
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n/an/a 26n/an/an/an/an/an/a



Cephalon Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TIE2 by HTRF assay


Bioorg Med Chem Lett 18: 1916-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.001
BindingDB Entry DOI: 10.7270/Q27M07PV
More data for this
Ligand-Target Pair