BDBM5446 CHEMBL553::ERLOTINIB HYDROCHLORIDE::Erlotinib::Erotinib::N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine Monohydrochloride::N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine::OSI-774::Tarceva::US10189853, erlotinib::US10507209, Compound Erlotinib::US11524945, Compound Erlotinib::US9409845, Table 1, Compound 22: erlotinib::US9730934, Erlotinib::WO2022090481, Example erlotinib::cid_176870
SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
InChI Key InChIKey=AAKJLRGGTJKAMG-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 1165 hits for monomerid = 5446
Affinity DataKi: 0.100nMAssay Description:Inhibition of wild-type EGFR (unknown origin) by high-throughput biochemical screeningMore data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataKi: 0.100nMAssay Description:Inhibition of wild type EGFR (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 0.100nMAssay Description:Inhibition of EGFR T790M/L858R mutant (unknown origin) by high-throughput biochemical screeningMore data for this Ligand-Target Pair
Affinity DataKi: 0.100nMAssay Description:Inhibition of EGFR deletion (746 to 750 residues) mutant (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 0.100nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system by mass...More data for this Ligand-Target Pair
Affinity DataKi: 0.300nMAssay Description:Inhibition of EGFR L858R mutant (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 0.300nMAssay Description:Inhibition of EGFR T790M/del746 to 750 mutant (unknown origin) by high-throughput biochemical screeningMore data for this Ligand-Target Pair
Affinity DataKi: 45nMAssay Description:Inhibition of EGFR (unknown origin) using poly(Glu,Tyr)4:1 as substrate in presence of [gamma-33P]-ATP after 60 mins by scintillation counting analys...More data for this Ligand-Target Pair
Affinity DataKi: 95nMAssay Description:Inhibition of EGFR del746 to 750 mutant (unknown origin) by high-throughput biochemical screeningMore data for this Ligand-Target Pair
Affinity DataKi: 95nMAssay Description:Inhibition of EGFR T790M/deletion (746 to 750 residues) mutant (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 123nMAssay Description:Inhibition of EGFR T790M/L858R mutant (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 123nMAssay Description:Inhibition of EGFR L858R mutant (unknown origin) by high-throughput biochemical screeningMore data for this Ligand-Target Pair
Affinity DataKi: 136nMAssay Description:Inhibition of recombinant human EGFR T790M/L858R double mutant by mass spectrometric analysisMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 2B1(Human)
Uppsala University
Curated by ChEMBL
Uppsala University
Curated by ChEMBL
Affinity DataKi: 530nMAssay Description:Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake incubated for 5 mins by scintillation coun...More data for this Ligand-Target Pair
Affinity DataKi: 6.30E+3nMAssay Description:Time dependent inhibition of CYP3A4More data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1B1(Human)
Uppsala University
Curated by ChEMBL
Uppsala University
Curated by ChEMBL
Affinity DataKi: 2.10E+4nMAssay Description:Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation countingMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1B3(Human)
Uppsala University
Curated by ChEMBL
Uppsala University
Curated by ChEMBL
Affinity DataKi: 4.10E+4nMAssay Description:Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio...More data for this Ligand-Target Pair
Affinity DataKi: 9.30E+5nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataKi: 1.30E+6nM ΔG°: -3.93kcal/molepH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataKi: 1.60E+6nM ΔG°: -3.81kcal/molepH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataKi: 3.10E+6nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataKi: 4.40E+6nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataIC50: 1nMpH: 7.5 T: 23°CAssay Description:Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...More data for this Ligand-Target Pair
Affinity DataIC50: 760nMpH: 7.5 T: 23°CAssay Description:Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [668-1210](Human)
Chemical Genomics Centre of The Max Planck Society
Chemical Genomics Centre of The Max Planck Society
Affinity DataIC50: 3.60nMpH: 7.5 T: 23°CAssay Description:The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [696-1210,T790M](Human)
Chemical Genomics Centre of The Max Planck Society
Chemical Genomics Centre of The Max Planck Society
Affinity DataIC50: 260nMpH: 7.5 T: 23°CAssay Description:The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src [251-533,S345C](Chicken)
Chemical Genomics Centre of The Max Planck Society
Chemical Genomics Centre of The Max Planck Society
Affinity DataIC50: 990nMpH: 7.5 T: 23°CAssay Description:IC50 values were determined with the Z lyte assay system (Invitrogen). The reactions were performed in 384-well small volume plates from Greiner (#7...More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src [251-533,T338M,S345C](Chicken)
Chemical Genomics Centre of The Max Planck Society
Chemical Genomics Centre of The Max Planck Society
Affinity DataIC50: 1.50E+4nMpH: 7.5 T: 23°CAssay Description:IC50 values were determined with the Z lyte assay system (Invitrogen). The reactions were performed in 384-well small volume plates from Greiner (#7...More data for this Ligand-Target Pair
Affinity DataKd: 190nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataKd: 1.20E+3nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataKd: 2.20E+3nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataKd: 1.40E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataKd: 600nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
TargetEpithelial discoidin domain-containing receptor 1(Human)
Ambit Biosciences
Curated by PubChem BioAssay
Ambit Biosciences
Curated by PubChem BioAssay
Affinity DataKd: 790nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataKd: 0.850nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataKd: 2.40E+3nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataKd: 440nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataKd: 1.40E+3nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
TargetReceptor-type tyrosine-protein kinase FLT3 [N841I](Human)
Ambit Biosciences
Curated by PubChem BioAssay
Ambit Biosciences
Curated by PubChem BioAssay
Affinity DataKd: 500nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 3(Human)
Ambit Biosciences
Curated by PubChem BioAssay
Ambit Biosciences
Curated by PubChem BioAssay
Affinity DataKd: 2.10E+3nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataKd: 2.00E+3nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 1(Human)
Ambit Biosciences
Curated by PubChem BioAssay
Ambit Biosciences
Curated by PubChem BioAssay
Affinity DataKd: 4.40E+3nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
TargetReceptor-type tyrosine-protein kinase FLT3 [D835H](Human)
Ambit Biosciences
Curated by PubChem BioAssay
Ambit Biosciences
Curated by PubChem BioAssay
Affinity DataKd: 350nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
TargetReceptor-type tyrosine-protein kinase FLT3 [D835Y](Human)
Ambit Biosciences
Curated by PubChem BioAssay
Ambit Biosciences
Curated by PubChem BioAssay
Affinity DataKd: 130nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataKd: 820nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataKd: 1.10E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataKd: 250nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataKd: 530nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataKd: 570nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Affinity DataKd: 640nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair