BDBM5447 CHEMBL939::GEFITINIB::Iressa::N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine::N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine::US10106508, Gefitinib::US10507209, Compound Gefitinib::US9416123, Gefitinib::US9730934, Gefitinib::US9783524, Gefitinib::WO2022090481, Example gefitinib::ZD1839::cid_123631

SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1

InChI Key InChIKey=XGALLCVXEZPNRQ-UHFFFAOYSA-N

Data  2 KI  277 IC50  840 Kd  3 EC50

PDB links: 8 PDB IDs match this monomer.

  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 16 hits for monomerid = 5447   

TargetActivated CDC42 kinase 1(Homo sapiens (Human))
Synovo

US Patent
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Affinity DataIC50:  2.30E+3nMpH: 7.5 T: 2°CAssay Description:FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSerine/threonine-protein kinase B-raf [V600E](Homo sapiens (Human))
Synovo

US Patent
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Affinity DataIC50:  3.00E+4nMpH: 7.5 T: 2°CAssay Description:FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetProtein-tyrosine kinase 6(Homo sapiens (Human))
Synovo

US Patent
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Affinity DataIC50:  980nMpH: 7.5 T: 2°CAssay Description:FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Synovo

US Patent
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Affinity DataIC50:  1.40nMpH: 7.5 T: 2°CAssay Description:FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [1-746,750-1210,A750P](Homo sapiens (Human))
Synovo

US Patent
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Affinity DataIC50:  3.10nMpH: 7.5 T: 2°CAssay Description:FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [1-746,753-1210,P753S](Homo sapiens (Human))
Synovo

US Patent
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Affinity DataIC50:  2.20nMpH: 7.5 T: 2°CAssay Description:FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [1-751,75360-1210](Homo sapiens (Human))
Synovo

US Patent
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Affinity DataIC50:  2.10nMpH: 7.5 T: 2°CAssay Description:FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [G719C](Homo sapiens (Human))
Synovo

US Patent
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Affinity DataIC50:  4nMpH: 7.5 T: 2°CAssay Description:FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [G719S](Homo sapiens (Human))
Synovo

US Patent
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Affinity DataIC50:  6.70nMpH: 7.5 T: 2°CAssay Description:FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [L858R](Homo sapiens (Human))
Synovo

US Patent
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Affinity DataIC50:  1.60nMpH: 7.5 T: 2°CAssay Description:FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [L861Q](Homo sapiens (Human))
Synovo

US Patent
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Affinity DataIC50:  2.20nMpH: 7.5 T: 2°CAssay Description:FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M](Homo sapiens (Human))
Synovo

US Patent
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Affinity DataIC50:  280nMpH: 7.5 T: 2°CAssay Description:FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
Synovo

US Patent
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Affinity DataIC50:  3.10E+3nMpH: 7.5 T: 2°CAssay Description:FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Synovo

US Patent
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Affinity DataIC50:  3nMpH: 7.5 T: 2°CAssay Description:FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol...More data for this Ligand-Target Pair
TargetIsoform 1 of Misshapen-like kinase 1 (MINK-delta)(Homo sapiens (Human))
Synovo

US Patent
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Affinity DataIC50:  1.50E+4nMpH: 7.5 T: 2°CAssay Description:FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetReceptor-interacting serine/threonine-protein kinase 2(Homo sapiens (Human))
Synovo

US Patent
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Affinity DataIC50:  3.80nMpH: 7.5 T: 2°CAssay Description:FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol...More data for this Ligand-Target Pair
In DepthDetails US Patent