BDBM228119 (e)-n-(4-((1-(3-fluorobenzyl)-1h-indazol-5-yl)amino)quinazolin-6-yl)-4-((4ar,7as)-tetrahydro-2h-[1,4]dioxin[2,3-c]pyrrol-6(3h)-yl)but-2-enamide::US9556191, example 26

SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnc5ccc(NC(=O)\C=C\CN6C[C@H]7OCCO[C@H]7C6)cc45)ccc23)c1

InChI Key InChIKey=IREADPMWGRIVEJ-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 228119   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 228119BDBM228119(US9556191, example 26 | (e)-n-(4-((1-(3-fluorobenz...)
Affinity DataIC50: 1.60nMpH: 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 228119BDBM228119(US9556191, example 26 | (e)-n-(4-((1-(3-fluorobenz...)
Affinity DataIC50: 14nMpH: 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 228119BDBM228119(US9556191, example 26 | (e)-n-(4-((1-(3-fluorobenz...)
Affinity DataIC50: 89.3nMpH: 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