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

InChI Key: InChIKey=BGPAHUNSGVWHIG-SANMLTNESA-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 = 50030380   
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))
BDBM50030380
PNG
(CHEMBL3344221)
Show SMILES CN(C)[C@@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1S/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)/t26-/m0/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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50030380
PNG
(CHEMBL3344221)
Show SMILES CN(C)[C@@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1S/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)/t26-/m0/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50030380
PNG
(CHEMBL3344221)
Show SMILES CN(C)[C@@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1S/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)/t26-/m0/s1
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n/an/a 30n/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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50030380
PNG
(CHEMBL3344221)
Show SMILES CN(C)[C@@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1S/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)/t26-/m0/s1
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n/an/a 26n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50030380
PNG
(CHEMBL3344221)
Show SMILES CN(C)[C@@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1S/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)/t26-/m0/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