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SMILES: COC(=O)c1c(OCCN2CCCC2)c2ccccc2c2oc3c(C(=O)c4ccccc4C3=O)c12

InChI Key: InChIKey=MPRJXIBHCLPEPI-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50178492   
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50178492
PNG
(7,12-dioxo-5-(2-pyrrolidin-1-yl-ethoxy)-7,12-dihyd...)
Show SMILES COC(=O)c1c(OCCN2CCCC2)c2ccccc2c2oc3c(C(=O)c4ccccc4C3=O)c12
Show InChI InChI=1S/C28H23NO6/c1-33-28(32)22-20-21-23(30)16-8-2-3-9-17(16)24(31)27(21)35-26(20)19-11-5-4-10-18(19)25(22)34-15-14-29-12-6-7-13-29/h2-5,8-11H,6-7,12-15H2,1H3
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Article
PubMed
n/an/a 8.70E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against PDGFRbeta kinase


Bioorg Med Chem Lett 16: 737-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.115
BindingDB Entry DOI: 10.7270/Q2SF2VQR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50178492
PNG
(7,12-dioxo-5-(2-pyrrolidin-1-yl-ethoxy)-7,12-dihyd...)
Show SMILES COC(=O)c1c(OCCN2CCCC2)c2ccccc2c2oc3c(C(=O)c4ccccc4C3=O)c12
Show InChI InChI=1S/C28H23NO6/c1-33-28(32)22-20-21-23(30)16-8-2-3-9-17(16)24(31)27(21)35-26(20)19-11-5-4-10-18(19)25(22)34-15-14-29-12-6-7-13-29/h2-5,8-11H,6-7,12-15H2,1H3
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PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against EGFR kinase


Bioorg Med Chem Lett 16: 737-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.115
BindingDB Entry DOI: 10.7270/Q2SF2VQR
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50178492
PNG
(7,12-dioxo-5-(2-pyrrolidin-1-yl-ethoxy)-7,12-dihyd...)
Show SMILES COC(=O)c1c(OCCN2CCCC2)c2ccccc2c2oc3c(C(=O)c4ccccc4C3=O)c12
Show InChI InChI=1S/C28H23NO6/c1-33-28(32)22-20-21-23(30)16-8-2-3-9-17(16)24(31)27(21)35-26(20)19-11-5-4-10-18(19)25(22)34-15-14-29-12-6-7-13-29/h2-5,8-11H,6-7,12-15H2,1H3
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PubMed
n/an/a 2.38E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against FGFR1 kinase


Bioorg Med Chem Lett 16: 737-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.115
BindingDB Entry DOI: 10.7270/Q2SF2VQR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50178492
PNG
(7,12-dioxo-5-(2-pyrrolidin-1-yl-ethoxy)-7,12-dihyd...)
Show SMILES COC(=O)c1c(OCCN2CCCC2)c2ccccc2c2oc3c(C(=O)c4ccccc4C3=O)c12
Show InChI InChI=1S/C28H23NO6/c1-33-28(32)22-20-21-23(30)16-8-2-3-9-17(16)24(31)27(21)35-26(20)19-11-5-4-10-18(19)25(22)34-15-14-29-12-6-7-13-29/h2-5,8-11H,6-7,12-15H2,1H3
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Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2 kinase


Bioorg Med Chem Lett 16: 737-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.115
BindingDB Entry DOI: 10.7270/Q2SF2VQR
More data for this
Ligand-Target Pair