BDBM228127 (e)-n-(4-((3,4-dichloro-2-fluorophenyl)amino)-7-(((s)-tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-((4ar,7as)-tetrahydro-2h-[1,4]dioxino[2,3-c]pyrrol-6(3h)-yl)but-2-enamide::US9556191, example 34

SMILES Fc1c(Cl)c(Cl)ccc1Nc1ncnc2cc(O[C@H]3CCOC3)c(NC(=O)\C=C\CN3C[C@H]4OCCO[C@H]4C3)cc12

InChI Key InChIKey=KAJAEDXGWXUDJX-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 = 228127   

TargetEpidermal growth factor receptor(Human)
Sunshine Lake Pharma

US Patent
LigandPNGBDBM228127(US9556191, example 34 | (e)-n-(4-((3,4-dichloro-2-...)
Affinity DataIC50: 3.30nMpH: 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
Go to US Patent

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

US Patent
LigandPNGBDBM228127(US9556191, example 34 | (e)-n-(4-((3,4-dichloro-2-...)
Affinity DataIC50: 20.3nMpH: 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
Go to US Patent

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

US Patent
LigandPNGBDBM228127(US9556191, example 34 | (e)-n-(4-((3,4-dichloro-2-...)
Affinity DataIC50: 7nMpH: 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
Go to US Patent