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SMILES: CC(C)NC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

InChI Key: InChIKey=ULXXLCZMVVOIBI-UHFFFAOYSA-N

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 5 hits for monomerid = 50030384   
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 2


(Homo sapiens (Human))
BDBM50030384
PNG
(CHEMBL3344213)
Show SMILES CC(C)NC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C31H30ClFN4O4S/c1-19(2)36-27(17-42(3,38)39)30-12-11-28(41-30)21-7-9-26-24(14-21)31(35-18-34-26)37-23-8-10-29(25(32)15-23)40-16-20-5-4-6-22(33)13-20/h4-15,18-19,27,36H,16-17H2,1-3H3,(H,34,35,37)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
BindingDB Entry DOI: 10.7270/Q25B043M
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50030384
PNG
(CHEMBL3344213)
Show SMILES CC(C)NC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C31H30ClFN4O4S/c1-19(2)36-27(17-42(3,38)39)30-12-11-28(41-30)21-7-9-26-24(14-21)31(35-18-34-26)37-23-8-10-29(25(32)15-23)40-16-20-5-4-6-22(33)13-20/h4-15,18-19,27,36H,16-17H2,1-3H3,(H,34,35,37)
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n/an/a 39n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER1 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
BindingDB Entry DOI: 10.7270/Q25B043M
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50030384
PNG
(CHEMBL3344213)
Show SMILES CC(C)NC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C31H30ClFN4O4S/c1-19(2)36-27(17-42(3,38)39)30-12-11-28(41-30)21-7-9-26-24(14-21)31(35-18-34-26)37-23-8-10-29(25(32)15-23)40-16-20-5-4-6-22(33)13-20/h4-15,18-19,27,36H,16-17H2,1-3H3,(H,34,35,37)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
BindingDB Entry DOI: 10.7270/Q25B043M
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50030384
PNG
(CHEMBL3344213)
Show SMILES CC(C)NC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C31H30ClFN4O4S/c1-19(2)36-27(17-42(3,38)39)30-12-11-28(41-30)21-7-9-26-24(14-21)31(35-18-34-26)37-23-8-10-29(25(32)15-23)40-16-20-5-4-6-22(33)13-20/h4-15,18-19,27,36H,16-17H2,1-3H3,(H,34,35,37)
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PubMed
n/an/a 48n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
BindingDB Entry DOI: 10.7270/Q25B043M
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50030384
PNG
(CHEMBL3344213)
Show SMILES CC(C)NC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C31H30ClFN4O4S/c1-19(2)36-27(17-42(3,38)39)30-12-11-28(41-30)21-7-9-26-24(14-21)31(35-18-34-26)37-23-8-10-29(25(32)15-23)40-16-20-5-4-6-22(33)13-20/h4-15,18-19,27,36H,16-17H2,1-3H3,(H,34,35,37)
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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
BindingDB Entry DOI: 10.7270/Q25B043M
More data for this
Ligand-Target Pair