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BDBM50243977 4-{1-[(Benzyloxy)methyl]-1H-indol-3-yl}-3-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrole-2-one::CHEMBL453336

SMILES: COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCc2ccccc2)c2ccccc12

InChI Key: InChIKey=PRGQUWCDXPFMCG-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50243977   
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))
BDBM50243977
PNG
(4-{1-[(Benzyloxy)methyl]-1H-indol-3-yl}-3-(3,4,5-t...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCc2ccccc2)c2ccccc12 |t:13|
Show InChI InChI=1S/C29H28N2O5/c1-33-25-13-20(14-26(34-2)28(25)35-3)27-22(15-30-29(27)32)23-16-31(24-12-8-7-11-21(23)24)18-36-17-19-9-5-4-6-10-19/h4-14,16H,15,17-18H2,1-3H3,(H,30,32)
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n/an/a 1.70E+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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50243977
PNG
(4-{1-[(Benzyloxy)methyl]-1H-indol-3-yl}-3-(3,4,5-t...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCc2ccccc2)c2ccccc12 |t:13|
Show InChI InChI=1S/C29H28N2O5/c1-33-25-13-20(14-26(34-2)28(25)35-3)27-22(15-30-29(27)32)23-16-31(24-12-8-7-11-21(23)24)18-36-17-19-9-5-4-6-10-19/h4-14,16H,15,17-18H2,1-3H3,(H,30,32)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR


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
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50243977
PNG
(4-{1-[(Benzyloxy)methyl]-1H-indol-3-yl}-3-(3,4,5-t...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCc2ccccc2)c2ccccc12 |t:13|
Show InChI InChI=1S/C29H28N2O5/c1-33-25-13-20(14-26(34-2)28(25)35-3)27-22(15-30-29(27)32)23-16-31(24-12-8-7-11-21(23)24)18-36-17-19-9-5-4-6-10-19/h4-14,16H,15,17-18H2,1-3H3,(H,30,32)
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n/an/a 3.70E+4n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EPHB4


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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50243977
PNG
(4-{1-[(Benzyloxy)methyl]-1H-indol-3-yl}-3-(3,4,5-t...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCc2ccccc2)c2ccccc12 |t:13|
Show InChI InChI=1S/C29H28N2O5/c1-33-25-13-20(14-26(34-2)28(25)35-3)27-22(15-30-29(27)32)23-16-31(24-12-8-7-11-21(23)24)18-36-17-19-9-5-4-6-10-19/h4-14,16H,15,17-18H2,1-3H3,(H,30,32)
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n/an/a 3.60E+4n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERBB2


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))
BDBM50243977
PNG
(4-{1-[(Benzyloxy)methyl]-1H-indol-3-yl}-3-(3,4,5-t...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCc2ccccc2)c2ccccc12 |t:13|
Show InChI InChI=1S/C29H28N2O5/c1-33-25-13-20(14-26(34-2)28(25)35-3)27-22(15-30-29(27)32)23-16-31(24-12-8-7-11-21(23)24)18-36-17-19-9-5-4-6-10-19/h4-14,16H,15,17-18H2,1-3H3,(H,30,32)
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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 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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50243977
PNG
(4-{1-[(Benzyloxy)methyl]-1H-indol-3-yl}-3-(3,4,5-t...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCc2ccccc2)c2ccccc12 |t:13|
Show InChI InChI=1S/C29H28N2O5/c1-33-25-13-20(14-26(34-2)28(25)35-3)27-22(15-30-29(27)32)23-16-31(24-12-8-7-11-21(23)24)18-36-17-19-9-5-4-6-10-19/h4-14,16H,15,17-18H2,1-3H3,(H,30,32)
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n/an/a 9.30E+4n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2A1


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))
BDBM50243977
PNG
(4-{1-[(Benzyloxy)methyl]-1H-indol-3-yl}-3-(3,4,5-t...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCc2ccccc2)c2ccccc12 |t:13|
Show InChI InChI=1S/C29H28N2O5/c1-33-25-13-20(14-26(34-2)28(25)35-3)27-22(15-30-29(27)32)23-16-31(24-12-8-7-11-21(23)24)18-36-17-19-9-5-4-6-10-19/h4-14,16H,15,17-18H2,1-3H3,(H,30,32)
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n/an/a 9.10E+3n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50243977
PNG
(4-{1-[(Benzyloxy)methyl]-1H-indol-3-yl}-3-(3,4,5-t...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCc2ccccc2)c2ccccc12 |t:13|
Show InChI InChI=1S/C29H28N2O5/c1-33-25-13-20(14-26(34-2)28(25)35-3)27-22(15-30-29(27)32)23-16-31(24-12-8-7-11-21(23)24)18-36-17-19-9-5-4-6-10-19/h4-14,16H,15,17-18H2,1-3H3,(H,30,32)
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n/an/a 1.60E+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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50243977
PNG
(4-{1-[(Benzyloxy)methyl]-1H-indol-3-yl}-3-(3,4,5-t...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCc2ccccc2)c2ccccc12 |t:13|
Show InChI InChI=1S/C29H28N2O5/c1-33-25-13-20(14-26(34-2)28(25)35-3)27-22(15-30-29(27)32)23-16-31(24-12-8-7-11-21(23)24)18-36-17-19-9-5-4-6-10-19/h4-14,16H,15,17-18H2,1-3H3,(H,30,32)
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n/an/a 3.60E+4n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3


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))
BDBM50243977
PNG
(4-{1-[(Benzyloxy)methyl]-1H-indol-3-yl}-3-(3,4,5-t...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCc2ccccc2)c2ccccc12 |t:13|
Show InChI InChI=1S/C29H28N2O5/c1-33-25-13-20(14-26(34-2)28(25)35-3)27-22(15-30-29(27)32)23-16-31(24-12-8-7-11-21(23)24)18-36-17-19-9-5-4-6-10-19/h4-14,16H,15,17-18H2,1-3H3,(H,30,32)
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n/an/a 1.10E+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
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50243977
PNG
(4-{1-[(Benzyloxy)methyl]-1H-indol-3-yl}-3-(3,4,5-t...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCc2ccccc2)c2ccccc12 |t:13|
Show InChI InChI=1S/C29H28N2O5/c1-33-25-13-20(14-26(34-2)28(25)35-3)27-22(15-30-29(27)32)23-16-31(24-12-8-7-11-21(23)24)18-36-17-19-9-5-4-6-10-19/h4-14,16H,15,17-18H2,1-3H3,(H,30,32)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF1R


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