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SMILES: Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)c(F)c1

InChI Key: InChIKey=MCIKCKGVVBUURA-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 7 hits for monomerid = 50360453   
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
Insulin receptor


(Homo sapiens (Human))
BDBM50360453
PNG
(CHEMBL1934626)
Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)c(F)c1
Show InChI InChI=1S/C31H27ClF2N4O/c1-21-27(11-8-22-7-9-24(29(34)16-22)18-38-13-2-3-14-38)31(36-20-35-21)37-26-10-12-30(28(32)17-26)39-19-23-5-4-6-25(33)15-23/h4-7,9-10,12,15-17,20H,2-3,13-14,18-19H2,1H3,(H,35,36,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of INSR


Bioorg Med Chem Lett 22: 456-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50360453
PNG
(CHEMBL1934626)
Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)c(F)c1
Show InChI InChI=1S/C31H27ClF2N4O/c1-21-27(11-8-22-7-9-24(29(34)16-22)18-38-13-2-3-14-38)31(36-20-35-21)37-26-10-12-30(28(32)17-26)39-19-23-5-4-6-25(33)15-23/h4-7,9-10,12,15-17,20H,2-3,13-14,18-19H2,1H3,(H,35,36,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 22: 456-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50360453
PNG
(CHEMBL1934626)
Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)c(F)c1
Show InChI InChI=1S/C31H27ClF2N4O/c1-21-27(11-8-22-7-9-24(29(34)16-22)18-38-13-2-3-14-38)31(36-20-35-21)37-26-10-12-30(28(32)17-26)39-19-23-5-4-6-25(33)15-23/h4-7,9-10,12,15-17,20H,2-3,13-14,18-19H2,1H3,(H,35,36,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta


Bioorg Med Chem Lett 22: 456-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50360453
PNG
(CHEMBL1934626)
Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)c(F)c1
Show InChI InChI=1S/C31H27ClF2N4O/c1-21-27(11-8-22-7-9-24(29(34)16-22)18-38-13-2-3-14-38)31(36-20-35-21)37-26-10-12-30(28(32)17-26)39-19-23-5-4-6-25(33)15-23/h4-7,9-10,12,15-17,20H,2-3,13-14,18-19H2,1H3,(H,35,36,37)
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n/an/a 62n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Her-2 by time-resolved fluorescence assay


Bioorg Med Chem Lett 22: 456-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50360453
PNG
(CHEMBL1934626)
Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)c(F)c1
Show InChI InChI=1S/C31H27ClF2N4O/c1-21-27(11-8-22-7-9-24(29(34)16-22)18-38-13-2-3-14-38)31(36-20-35-21)37-26-10-12-30(28(32)17-26)39-19-23-5-4-6-25(33)15-23/h4-7,9-10,12,15-17,20H,2-3,13-14,18-19H2,1H3,(H,35,36,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 22: 456-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50360453
PNG
(CHEMBL1934626)
Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)c(F)c1
Show InChI InChI=1S/C31H27ClF2N4O/c1-21-27(11-8-22-7-9-24(29(34)16-22)18-38-13-2-3-14-38)31(36-20-35-21)37-26-10-12-30(28(32)17-26)39-19-23-5-4-6-25(33)15-23/h4-7,9-10,12,15-17,20H,2-3,13-14,18-19H2,1H3,(H,35,36,37)
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n/an/a 190n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis


Bioorg Med Chem Lett 22: 456-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50360453
PNG
(CHEMBL1934626)
Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)c(F)c1
Show InChI InChI=1S/C31H27ClF2N4O/c1-21-27(11-8-22-7-9-24(29(34)16-22)18-38-13-2-3-14-38)31(36-20-35-21)37-26-10-12-30(28(32)17-26)39-19-23-5-4-6-25(33)15-23/h4-7,9-10,12,15-17,20H,2-3,13-14,18-19H2,1H3,(H,35,36,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 22: 456-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4
More data for this
Ligand-Target Pair