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BDBM50178490 7,12-dioxo-5-(2-piperidin-1-yl-ethoxy)-7,12-dihydro-dinaphtho[1,2-b;2',3'-d]furan-6-carboxylic acid methyl ester::CHEMBL200976

SMILES: COC(=O)c1c(OCCN2CCCCC2)c2ccccc2c2oc3c(C(=O)c4ccccc4C3=O)c12

InChI Key: InChIKey=KSKXCLMAVSEKHS-UHFFFAOYSA-N

Data: 4 IC50

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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 = 50178490   
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))
BDBM50178490
PNG
(7,12-dioxo-5-(2-piperidin-1-yl-ethoxy)-7,12-dihydr...)
Show SMILES COC(=O)c1c(OCCN2CCCCC2)c2ccccc2c2oc3c(C(=O)c4ccccc4C3=O)c12
Show InChI InChI=1S/C29H25NO6/c1-34-29(33)23-21-22-24(31)17-9-3-4-10-18(17)25(32)28(22)36-27(21)20-12-6-5-11-19(20)26(23)35-16-15-30-13-7-2-8-14-30/h3-6,9-12H,2,7-8,13-16H2,1H3
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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 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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50178490
PNG
(7,12-dioxo-5-(2-piperidin-1-yl-ethoxy)-7,12-dihydr...)
Show SMILES COC(=O)c1c(OCCN2CCCCC2)c2ccccc2c2oc3c(C(=O)c4ccccc4C3=O)c12
Show InChI InChI=1S/C29H25NO6/c1-34-29(33)23-21-22-24(31)17-9-3-4-10-18(17)25(32)28(22)36-27(21)20-12-6-5-11-19(20)26(23)35-16-15-30-13-7-2-8-14-30/h3-6,9-12H,2,7-8,13-16H2,1H3
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PubMed
n/an/a 4.60E+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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50178490
PNG
(7,12-dioxo-5-(2-piperidin-1-yl-ethoxy)-7,12-dihydr...)
Show SMILES COC(=O)c1c(OCCN2CCCCC2)c2ccccc2c2oc3c(C(=O)c4ccccc4C3=O)c12
Show InChI InChI=1S/C29H25NO6/c1-34-29(33)23-21-22-24(31)17-9-3-4-10-18(17)25(32)28(22)36-27(21)20-12-6-5-11-19(20)26(23)35-16-15-30-13-7-2-8-14-30/h3-6,9-12H,2,7-8,13-16H2,1H3
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PubMed
n/an/a 7.10E+3n/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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50178490
PNG
(7,12-dioxo-5-(2-piperidin-1-yl-ethoxy)-7,12-dihydr...)
Show SMILES COC(=O)c1c(OCCN2CCCCC2)c2ccccc2c2oc3c(C(=O)c4ccccc4C3=O)c12
Show InChI InChI=1S/C29H25NO6/c1-34-29(33)23-21-22-24(31)17-9-3-4-10-18(17)25(32)28(22)36-27(21)20-12-6-5-11-19(20)26(23)35-16-15-30-13-7-2-8-14-30/h3-6,9-12H,2,7-8,13-16H2,1H3
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KEGG

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UniChem

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Article
PubMed
n/an/a 2.80E+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