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BDBM50243928 4-[1-(Ethoxymethyl)-1H-indol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrole-2-one::CHEMBL529217

SMILES: CCOCn1cc(C2=C(C(=O)NC2)c2cc(OC)c(OC)c(OC)c2)c2ccccc12

InChI Key: InChIKey=QEIHPMKEVRZNEO-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50243928   
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
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50243928
PNG
(4-[1-(Ethoxymethyl)-1H-indol-3-yl]-3-(3,4,5-trimet...)
Show SMILES CCOCn1cc(C2=C(C(=O)NC2)c2cc(OC)c(OC)c(OC)c2)c2ccccc12 |t:7|
Show InChI InChI=1S/C24H26N2O5/c1-5-31-14-26-13-18(16-8-6-7-9-19(16)26)17-12-25-24(27)22(17)15-10-20(28-2)23(30-4)21(11-15)29-3/h6-11,13H,5,12,14H2,1-4H3,(H,25,27)
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Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR3


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50243928
PNG
(4-[1-(Ethoxymethyl)-1H-indol-3-yl]-3-(3,4,5-trimet...)
Show SMILES CCOCn1cc(C2=C(C(=O)NC2)c2cc(OC)c(OC)c(OC)c2)c2ccccc12 |t:7|
Show InChI InChI=1S/C24H26N2O5/c1-5-31-14-26-13-18(16-8-6-7-9-19(16)26)17-12-25-24(27)22(17)15-10-20(28-2)23(30-4)21(11-15)29-3/h6-11,13H,5,12,14H2,1-4H3,(H,25,27)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50243928
PNG
(4-[1-(Ethoxymethyl)-1H-indol-3-yl]-3-(3,4,5-trimet...)
Show SMILES CCOCn1cc(C2=C(C(=O)NC2)c2cc(OC)c(OC)c(OC)c2)c2ccccc12 |t:7|
Show InChI InChI=1S/C24H26N2O5/c1-5-31-14-26-13-18(16-8-6-7-9-19(16)26)17-12-25-24(27)22(17)15-10-20(28-2)23(30-4)21(11-15)29-3/h6-11,13H,5,12,14H2,1-4H3,(H,25,27)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAK


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50243928
PNG
(4-[1-(Ethoxymethyl)-1H-indol-3-yl]-3-(3,4,5-trimet...)
Show SMILES CCOCn1cc(C2=C(C(=O)NC2)c2cc(OC)c(OC)c(OC)c2)c2ccccc12 |t:7|
Show InChI InChI=1S/C24H26N2O5/c1-5-31-14-26-13-18(16-8-6-7-9-19(16)26)17-12-25-24(27)22(17)15-10-20(28-2)23(30-4)21(11-15)29-3/h6-11,13H,5,12,14H2,1-4H3,(H,25,27)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SAK


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50243928
PNG
(4-[1-(Ethoxymethyl)-1H-indol-3-yl]-3-(3,4,5-trimet...)
Show SMILES CCOCn1cc(C2=C(C(=O)NC2)c2cc(OC)c(OC)c(OC)c2)c2ccccc12 |t:7|
Show InChI InChI=1S/C24H26N2O5/c1-5-31-14-26-13-18(16-8-6-7-9-19(16)26)17-12-25-24(27)22(17)15-10-20(28-2)23(30-4)21(11-15)29-3/h6-11,13H,5,12,14H2,1-4H3,(H,25,27)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50243928
PNG
(4-[1-(Ethoxymethyl)-1H-indol-3-yl]-3-(3,4,5-trimet...)
Show SMILES CCOCn1cc(C2=C(C(=O)NC2)c2cc(OC)c(OC)c(OC)c2)c2ccccc12 |t:7|
Show InChI InChI=1S/C24H26N2O5/c1-5-31-14-26-13-18(16-8-6-7-9-19(16)26)17-12-25-24(27)22(17)15-10-20(28-2)23(30-4)21(11-15)29-3/h6-11,13H,5,12,14H2,1-4H3,(H,25,27)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TIE2


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50243928
PNG
(4-[1-(Ethoxymethyl)-1H-indol-3-yl]-3-(3,4,5-trimet...)
Show SMILES CCOCn1cc(C2=C(C(=O)NC2)c2cc(OC)c(OC)c(OC)c2)c2ccccc12 |t:7|
Show InChI InChI=1S/C24H26N2O5/c1-5-31-14-26-13-18(16-8-6-7-9-19(16)26)17-12-25-24(27)22(17)15-10-20(28-2)23(30-4)21(11-15)29-3/h6-11,13H,5,12,14H2,1-4H3,(H,25,27)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SRC


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair