BDBM228121 (e)-n-(7-ethoxy-4-((1-(3-fluorobenzyl)-1h-indazol-5-yl)amino)quinazolin-6-yl)-4-((4ar,7as)-tetrahydro-2h-[1,4]dioxino[2,3-c]pyrrol-6(3h)-yl)but-2-enamide::US9556191, example 28

SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1

InChI Key InChIKey=LLDLKTHXNUZVDV-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 = 228121   

TargetEpidermal growth factor receptor(Human)
Sunshine Lake Pharma

US Patent
LigandPNGBDBM228121(US9556191, example 28 | (e)-n-(7-ethoxy-4-((1-(3-f...)
Affinity DataIC50: 40.1nMpH: 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
LigandPNGBDBM228121(US9556191, example 28 | (e)-n-(7-ethoxy-4-((1-(3-f...)
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
Go to US Patent

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

US Patent
LigandPNGBDBM228121(US9556191, example 28 | (e)-n-(7-ethoxy-4-((1-(3-f...)
Affinity DataIC50: 14.5nMpH: 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
Go to US Patent