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SMILES: COc1cc2CN(CCc2cc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C(C)=O

InChI Key: InChIKey=HXPUBUWIOHZCKU-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 2 hits for monomerid = 391734   
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
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))
BDBM391734
PNG
(N-(3-((2-((2-acetyl-7-methoxy-1,2,3,4-tetrahydrois...)
Show SMILES COc1cc2CN(CCc2cc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C(C)=O
Show InChI InChI=1S/C26H25F3N6O3/c1-4-23(37)31-18-6-5-7-19(12-18)32-24-20(26(27,28)29)13-30-25(34-24)33-21-10-16-8-9-35(15(2)36)14-17(16)11-22(21)38-3/h4-7,10-13H,1,8-9,14H2,2-3H3,(H,31,37)(H2,30,32,33,34)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a



Wyeth Research



Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


Bioorg Med Chem Lett 19: 62-6 (2009)


BindingDB Entry DOI: 10.7270/Q2P84F65
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM391734
PNG
(N-(3-((2-((2-acetyl-7-methoxy-1,2,3,4-tetrahydrois...)
Show SMILES COc1cc2CN(CCc2cc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C(C)=O
Show InChI InChI=1S/C26H25F3N6O3/c1-4-23(37)31-18-6-5-7-19(12-18)32-24-20(26(27,28)29)13-30-25(34-24)33-21-10-16-8-9-35(15(2)36)14-17(16)11-22(21)38-3/h4-7,10-13H,1,8-9,14H2,2-3H3,(H,31,37)(H2,30,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 640n/an/an/an/an/an/a



Wyeth Research



Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


Bioorg Med Chem Lett 19: 62-6 (2009)


BindingDB Entry DOI: 10.7270/Q2P84F65
More data for this
Ligand-Target Pair