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

InChI Key: InChIKey=SWMGNCSEVSFTQH-SSEXGKCCSA-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 = 50030381   
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))
BDBM50030381
PNG
(CHEMBL3344219)
Show SMILES CCCCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1S/C35H36ClFN4O6S/c1-3-4-5-6-10-34(42)47-41-30(21-48(2,43)44)33-16-15-31(46-33)24-11-13-29-27(18-24)35(39-22-38-29)40-26-12-14-32(28(36)19-26)45-20-23-8-7-9-25(37)17-23/h7-9,11-19,22,30,41H,3-6,10,20-21H2,1-2H3,(H,38,39,40)/t30-/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50030381
PNG
(CHEMBL3344219)
Show SMILES CCCCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1S/C35H36ClFN4O6S/c1-3-4-5-6-10-34(42)47-41-30(21-48(2,43)44)33-16-15-31(46-33)24-11-13-29-27(18-24)35(39-22-38-29)40-26-12-14-32(28(36)19-26)45-20-23-8-7-9-25(37)17-23/h7-9,11-19,22,30,41H,3-6,10,20-21H2,1-2H3,(H,38,39,40)/t30-/m1/s1
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n/an/a 110n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50030381
PNG
(CHEMBL3344219)
Show SMILES CCCCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1S/C35H36ClFN4O6S/c1-3-4-5-6-10-34(42)47-41-30(21-48(2,43)44)33-16-15-31(46-33)24-11-13-29-27(18-24)35(39-22-38-29)40-26-12-14-32(28(36)19-26)45-20-23-8-7-9-25(37)17-23/h7-9,11-19,22,30,41H,3-6,10,20-21H2,1-2H3,(H,38,39,40)/t30-/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 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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50030381
PNG
(CHEMBL3344219)
Show SMILES CCCCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1S/C35H36ClFN4O6S/c1-3-4-5-6-10-34(42)47-41-30(21-48(2,43)44)33-16-15-31(46-33)24-11-13-29-27(18-24)35(39-22-38-29)40-26-12-14-32(28(36)19-26)45-20-23-8-7-9-25(37)17-23/h7-9,11-19,22,30,41H,3-6,10,20-21H2,1-2H3,(H,38,39,40)/t30-/m1/s1
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 158n/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))
BDBM50030381
PNG
(CHEMBL3344219)
Show SMILES CCCCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1S/C35H36ClFN4O6S/c1-3-4-5-6-10-34(42)47-41-30(21-48(2,43)44)33-16-15-31(46-33)24-11-13-29-27(18-24)35(39-22-38-29)40-26-12-14-32(28(36)19-26)45-20-23-8-7-9-25(37)17-23/h7-9,11-19,22,30,41H,3-6,10,20-21H2,1-2H3,(H,38,39,40)/t30-/m1/s1
PDB

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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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