BDBM228114 (e)-n-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)-4-((4ar,7as)-tetrahydro-2h-[1,4]dioxino[2,3-c]pyrrol-6(3h)-yl)but-2-enamide::US9556191, example 21

SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)\C=C\CN5C[C@H]6OCCO[C@H]6C5)cc34)cc2Cl)c1

InChI Key InChIKey=RWQRIUWKYIAJRI-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 228114   

TargetReceptor tyrosine-protein kinase erbB-2(Human)
Sunshine Lake Pharma

US Patent
LigandChemical structure of BindingDB Monomer ID 228114BDBM228114(US9556191, example 21 | (e)-n-(4-((3-chloro-4-((3-...)
Affinity DataIC50: 3.5nMpH: 7.5 T: 2°CAssay Description:Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/3/2018
Entry Details
US Patent

TargetEpidermal growth factor receptor(Human)
Sunshine Lake Pharma

US Patent
LigandChemical structure of BindingDB Monomer ID 228114BDBM228114(US9556191, example 21 | (e)-n-(4-((3-chloro-4-((3-...)
Affinity DataIC50: 15nMpH: 7.5 T: 2°CAssay Description:Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/3/2018
Entry Details
US Patent

TargetEpidermal growth factor receptor [T790M](Human)
Sunshine Lake Pharma

US Patent
LigandChemical structure of BindingDB Monomer ID 228114BDBM228114(US9556191, example 21 | (e)-n-(4-((3-chloro-4-((3-...)
Affinity DataIC50: 317nMpH: 7.5 T: 2°CAssay Description:Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/3/2018
Entry Details
US Patent