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BDBM50030379 CHEMBL3344210

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

InChI Key: InChIKey=UIKHYQLSZPHCKO-UHFFFAOYSA-N

Data: 5 IC50

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 = 50030379   
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))
BDBM50030379
PNG
(CHEMBL3344210)
Show SMILES CNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-32-25(16-40(2,36)37)28-11-10-26(39-28)19-6-8-24-22(13-19)29(34-17-33-24)35-21-7-9-27(23(30)14-21)38-15-18-4-3-5-20(31)12-18/h3-14,17,25,32H,15-16H2,1-2H3,(H,33,34,35)
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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))
BDBM50030379
PNG
(CHEMBL3344210)
Show SMILES CNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-32-25(16-40(2,36)37)28-11-10-26(39-28)19-6-8-24-22(13-19)29(34-17-33-24)35-21-7-9-27(23(30)14-21)38-15-18-4-3-5-20(31)12-18/h3-14,17,25,32H,15-16H2,1-2H3,(H,33,34,35)
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n/an/a 35n/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))
BDBM50030379
PNG
(CHEMBL3344210)
Show SMILES CNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-32-25(16-40(2,36)37)28-11-10-26(39-28)19-6-8-24-22(13-19)29(34-17-33-24)35-21-7-9-27(23(30)14-21)38-15-18-4-3-5-20(31)12-18/h3-14,17,25,32H,15-16H2,1-2H3,(H,33,34,35)
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n/an/a 1n/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))
BDBM50030379
PNG
(CHEMBL3344210)
Show SMILES CNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-32-25(16-40(2,36)37)28-11-10-26(39-28)19-6-8-24-22(13-19)29(34-17-33-24)35-21-7-9-27(23(30)14-21)38-15-18-4-3-5-20(31)12-18/h3-14,17,25,32H,15-16H2,1-2H3,(H,33,34,35)
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antibodypedia
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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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50030379
PNG
(CHEMBL3344210)
Show SMILES CNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-32-25(16-40(2,36)37)28-11-10-26(39-28)19-6-8-24-22(13-19)29(34-17-33-24)35-21-7-9-27(23(30)14-21)38-15-18-4-3-5-20(31)12-18/h3-14,17,25,32H,15-16H2,1-2H3,(H,33,34,35)
PDB
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NCI pathway
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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 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