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PubMed code 17157005

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50200394
PNG
(CHEMBL387187 | Cyclopropanecarboxylic acid (3-(6-(...)
Show SMILES FC(F)(F)c1cccc(Nc2cc(Nc3cccc(NC(=O)C4CC4)c3)ncn2)c1
Show InChI InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(9-14)27-18-11-19(26-12-25-18)28-16-5-2-6-17(10-16)29-20(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,29,30)(H2,25,26,27,28)
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PubMed
n/an/a 21n/an/an/an/an/an/a



ActiveSight

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 17: 688-91 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.086
BindingDB Entry DOI: 10.7270/Q2N0165M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50200392
PNG
(CHEMBL383899 | Cyclopropanecarboxylic acid-(3-(4-(...)
Show SMILES FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(NC(=O)C4CC4)c3)n2)c1
Show InChI InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(11-14)26-18-9-10-25-20(29-18)28-17-6-2-5-16(12-17)27-19(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,27,30)(H2,25,26,28,29)
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Article
PubMed
n/an/a 42n/an/an/an/an/an/a



ActiveSight

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A


Bioorg Med Chem Lett 17: 688-91 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.086
BindingDB Entry DOI: 10.7270/Q2N0165M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (human))
BDBM50200393
PNG
(CHEMBL216260 | N-3-2-3-trifluoromethyl)phenylamino...)
Show SMILES FC(F)(F)c1cccc(Nc2nccc(Nc3cccc(NC(=O)C4CC4)c3)n2)c1
Show InChI InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(11-14)28-20-25-10-9-18(29-20)26-16-5-2-6-17(12-16)27-19(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,27,30)(H2,25,26,28,29)
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PubMed
n/an/a 931n/an/an/an/an/an/a



ActiveSight

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A


Bioorg Med Chem Lett 17: 688-91 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.086
BindingDB Entry DOI: 10.7270/Q2N0165M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50200392
PNG
(CHEMBL383899 | Cyclopropanecarboxylic acid-(3-(4-(...)
Show SMILES FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(NC(=O)C4CC4)c3)n2)c1
Show InChI InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(11-14)26-18-9-10-25-20(29-18)28-17-6-2-5-16(12-17)27-19(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,27,30)(H2,25,26,28,29)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



ActiveSight

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 17: 688-91 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.086
BindingDB Entry DOI: 10.7270/Q2N0165M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50200394
PNG
(CHEMBL387187 | Cyclopropanecarboxylic acid (3-(6-(...)
Show SMILES FC(F)(F)c1cccc(Nc2cc(Nc3cccc(NC(=O)C4CC4)c3)ncn2)c1
Show InChI InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(9-14)27-18-11-19(26-12-25-18)28-16-5-2-6-17(10-16)29-20(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,29,30)(H2,25,26,27,28)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



ActiveSight

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A


Bioorg Med Chem Lett 17: 688-91 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.086
BindingDB Entry DOI: 10.7270/Q2N0165M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50200393
PNG
(CHEMBL216260 | N-3-2-3-trifluoromethyl)phenylamino...)
Show SMILES FC(F)(F)c1cccc(Nc2nccc(Nc3cccc(NC(=O)C4CC4)c3)n2)c1
Show InChI InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(11-14)28-20-25-10-9-18(29-20)26-16-5-2-6-17(12-16)27-19(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,27,30)(H2,25,26,28,29)
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PC cid
PC sid
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



ActiveSight

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 17: 688-91 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.086
BindingDB Entry DOI: 10.7270/Q2N0165M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%