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SMILES: CCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

InChI Key: InChIKey=JPDVCJYBXBQWPC-MUUNZHRXSA-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 = 50030377   
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))
BDBM50030377
PNG
(CHEMBL3344218)
Show SMILES CCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1S/C33H32ClFN4O6S/c1-3-4-8-32(40)45-39-28(19-46(2,41)42)31-14-13-29(44-31)22-9-11-27-25(16-22)33(37-20-36-27)38-24-10-12-30(26(34)17-24)43-18-21-6-5-7-23(35)15-21/h5-7,9-17,20,28,39H,3-4,8,18-19H2,1-2H3,(H,36,37,38)/t28-/m1/s1
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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))
BDBM50030377
PNG
(CHEMBL3344218)
Show SMILES CCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1S/C33H32ClFN4O6S/c1-3-4-8-32(40)45-39-28(19-46(2,41)42)31-14-13-29(44-31)22-9-11-27-25(16-22)33(37-20-36-27)38-24-10-12-30(26(34)17-24)43-18-21-6-5-7-23(35)15-21/h5-7,9-17,20,28,39H,3-4,8,18-19H2,1-2H3,(H,36,37,38)/t28-/m1/s1
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n/an/a 164n/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))
BDBM50030377
PNG
(CHEMBL3344218)
Show SMILES CCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1S/C33H32ClFN4O6S/c1-3-4-8-32(40)45-39-28(19-46(2,41)42)31-14-13-29(44-31)22-9-11-27-25(16-22)33(37-20-36-27)38-24-10-12-30(26(34)17-24)43-18-21-6-5-7-23(35)15-21/h5-7,9-17,20,28,39H,3-4,8,18-19H2,1-2H3,(H,36,37,38)/t28-/m1/s1
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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 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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50030377
PNG
(CHEMBL3344218)
Show SMILES CCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1S/C33H32ClFN4O6S/c1-3-4-8-32(40)45-39-28(19-46(2,41)42)31-14-13-29(44-31)22-9-11-27-25(16-22)33(37-20-36-27)38-24-10-12-30(26(34)17-24)43-18-21-6-5-7-23(35)15-21/h5-7,9-17,20,28,39H,3-4,8,18-19H2,1-2H3,(H,36,37,38)/t28-/m1/s1
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PubMed
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))
BDBM50030377
PNG
(CHEMBL3344218)
Show SMILES CCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1S/C33H32ClFN4O6S/c1-3-4-8-32(40)45-39-28(19-46(2,41)42)31-14-13-29(44-31)22-9-11-27-25(16-22)33(37-20-36-27)38-24-10-12-30(26(34)17-24)43-18-21-6-5-7-23(35)15-21/h5-7,9-17,20,28,39H,3-4,8,18-19H2,1-2H3,(H,36,37,38)/t28-/m1/s1
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KEGG

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UniChem

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Article
PubMed
n/an/a 93n/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