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BDBM50309548 3-(5-Bromo-1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dione::CHEMBL605957

SMILES: COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(Br)cc12

InChI Key: InChIKey=AQXIMVWUURMKKC-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50309548   
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 3


(Homo sapiens (Human))
BDBM50309548
PNG
(3-(5-Bromo-1H-indol-3-yl)-4-(3,4,5-trimethoxypheny...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(Br)cc12 |t:13|
Show InChI InChI=1S/C21H17BrN2O5/c1-27-15-6-10(7-16(28-2)19(15)29-3)17-18(21(26)24-20(17)25)13-9-23-14-5-4-11(22)8-12(13)14/h4-9,23H,1-3H3,(H,24,25,26)
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n/an/a 21n/an/an/an/an/an/a



Hadassah Hebrew University Hospital

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 after 80 mins by radiometric protein kinase assay


Bioorg Med Chem 18: 612-20 (2010)


Article DOI: 10.1016/j.bmc.2009.12.004
BindingDB Entry DOI: 10.7270/Q2DB820N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50309548
PNG
(3-(5-Bromo-1H-indol-3-yl)-4-(3,4,5-trimethoxypheny...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(Br)cc12 |t:13|
Show InChI InChI=1S/C21H17BrN2O5/c1-27-15-6-10(7-16(28-2)19(15)29-3)17-18(21(26)24-20(17)25)13-9-23-14-5-4-11(22)8-12(13)14/h4-9,23H,1-3H3,(H,24,25,26)
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n/an/a 23n/an/an/an/an/an/a



Hadassah Hebrew University Hospital

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 after 80 mins by radiometric protein kinase assay


Bioorg Med Chem 18: 612-20 (2010)


Article DOI: 10.1016/j.bmc.2009.12.004
BindingDB Entry DOI: 10.7270/Q2DB820N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50309548
PNG
(3-(5-Bromo-1H-indol-3-yl)-4-(3,4,5-trimethoxypheny...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(Br)cc12 |t:13|
Show InChI InChI=1S/C21H17BrN2O5/c1-27-15-6-10(7-16(28-2)19(15)29-3)17-18(21(26)24-20(17)25)13-9-23-14-5-4-11(22)8-12(13)14/h4-9,23H,1-3H3,(H,24,25,26)
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n/an/a 72n/an/an/an/an/an/a



Hadassah Hebrew University Hospital

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 after 80 mins by radiometric protein kinase assay


Bioorg Med Chem 18: 612-20 (2010)


Article DOI: 10.1016/j.bmc.2009.12.004
BindingDB Entry DOI: 10.7270/Q2DB820N
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50309548
PNG
(3-(5-Bromo-1H-indol-3-yl)-4-(3,4,5-trimethoxypheny...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(Br)cc12 |t:13|
Show InChI InChI=1S/C21H17BrN2O5/c1-27-15-6-10(7-16(28-2)19(15)29-3)17-18(21(26)24-20(17)25)13-9-23-14-5-4-11(22)8-12(13)14/h4-9,23H,1-3H3,(H,24,25,26)
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n/an/a 2.37E+3n/an/an/an/an/an/a



Hadassah Hebrew University Hospital

Curated by ChEMBL


Assay Description
Inhibition of TIE2 after 80 mins by radiometric protein kinase assay


Bioorg Med Chem 18: 612-20 (2010)


Article DOI: 10.1016/j.bmc.2009.12.004
BindingDB Entry DOI: 10.7270/Q2DB820N
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50309548
PNG
(3-(5-Bromo-1H-indol-3-yl)-4-(3,4,5-trimethoxypheny...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(Br)cc12 |t:13|
Show InChI InChI=1S/C21H17BrN2O5/c1-27-15-6-10(7-16(28-2)19(15)29-3)17-18(21(26)24-20(17)25)13-9-23-14-5-4-11(22)8-12(13)14/h4-9,23H,1-3H3,(H,24,25,26)
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n/an/a 1.33E+4n/an/an/an/an/an/a



Hadassah Hebrew University Hospital

Curated by ChEMBL


Assay Description
Inhibition of ERBB2 after 80 mins by radiometric protein kinase assay


Bioorg Med Chem 18: 612-20 (2010)


Article DOI: 10.1016/j.bmc.2009.12.004
BindingDB Entry DOI: 10.7270/Q2DB820N
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50309548
PNG
(3-(5-Bromo-1H-indol-3-yl)-4-(3,4,5-trimethoxypheny...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(Br)cc12 |t:13|
Show InChI InChI=1S/C21H17BrN2O5/c1-27-15-6-10(7-16(28-2)19(15)29-3)17-18(21(26)24-20(17)25)13-9-23-14-5-4-11(22)8-12(13)14/h4-9,23H,1-3H3,(H,24,25,26)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Hadassah Hebrew University Hospital

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha after 80 mins by radiometric protein kinase assay


Bioorg Med Chem 18: 612-20 (2010)


Article DOI: 10.1016/j.bmc.2009.12.004
BindingDB Entry DOI: 10.7270/Q2DB820N
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50309548
PNG
(3-(5-Bromo-1H-indol-3-yl)-4-(3,4,5-trimethoxypheny...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(Br)cc12 |t:13|
Show InChI InChI=1S/C21H17BrN2O5/c1-27-15-6-10(7-16(28-2)19(15)29-3)17-18(21(26)24-20(17)25)13-9-23-14-5-4-11(22)8-12(13)14/h4-9,23H,1-3H3,(H,24,25,26)
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n/an/a 3.22E+3n/an/an/an/an/an/a



Hadassah Hebrew University Hospital

Curated by ChEMBL


Assay Description
Inhibition of KIT after 80 mins by radiometric protein kinase assay


Bioorg Med Chem 18: 612-20 (2010)


Article DOI: 10.1016/j.bmc.2009.12.004
BindingDB Entry DOI: 10.7270/Q2DB820N
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50309548
PNG
(3-(5-Bromo-1H-indol-3-yl)-4-(3,4,5-trimethoxypheny...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(Br)cc12 |t:13|
Show InChI InChI=1S/C21H17BrN2O5/c1-27-15-6-10(7-16(28-2)19(15)29-3)17-18(21(26)24-20(17)25)13-9-23-14-5-4-11(22)8-12(13)14/h4-9,23H,1-3H3,(H,24,25,26)
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n/an/a 4.24E+3n/an/an/an/an/an/a



Hadassah Hebrew University Hospital

Curated by ChEMBL


Assay Description
Inhibition of IGF1R after 80 mins by radiometric protein kinase assay


Bioorg Med Chem 18: 612-20 (2010)


Article DOI: 10.1016/j.bmc.2009.12.004
BindingDB Entry DOI: 10.7270/Q2DB820N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50309548
PNG
(3-(5-Bromo-1H-indol-3-yl)-4-(3,4,5-trimethoxypheny...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(Br)cc12 |t:13|
Show InChI InChI=1S/C21H17BrN2O5/c1-27-15-6-10(7-16(28-2)19(15)29-3)17-18(21(26)24-20(17)25)13-9-23-14-5-4-11(22)8-12(13)14/h4-9,23H,1-3H3,(H,24,25,26)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Hadassah Hebrew University Hospital

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 80 mins by radiometric protein kinase assay


Bioorg Med Chem 18: 612-20 (2010)


Article DOI: 10.1016/j.bmc.2009.12.004
BindingDB Entry DOI: 10.7270/Q2DB820N
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50309548
PNG
(3-(5-Bromo-1H-indol-3-yl)-4-(3,4,5-trimethoxypheny...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(Br)cc12 |t:13|
Show InChI InChI=1S/C21H17BrN2O5/c1-27-15-6-10(7-16(28-2)19(15)29-3)17-18(21(26)24-20(17)25)13-9-23-14-5-4-11(22)8-12(13)14/h4-9,23H,1-3H3,(H,24,25,26)
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n/an/a 900n/an/an/an/an/an/a



Hadassah Hebrew University Hospital

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta after 80 mins by radiometric protein kinase assay


Bioorg Med Chem 18: 612-20 (2010)


Article DOI: 10.1016/j.bmc.2009.12.004
BindingDB Entry DOI: 10.7270/Q2DB820N
More data for this
Ligand-Target Pair