Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'uehara' and Initial = 'y'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type EGFR (696 to C terminal end) (unknown origin) using poly (Glu-Tyr) as substrate preincubated for 30 mins followed...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116039 BindingDB Entry DOI: 10.7270/Q2F76H84
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type EGFR (696 to C-terminal residues) (unknown origin) preincubated for 30 mins followed by poly (Glu-Tyr) biotinylat...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50559514 (CHEMBL4791596) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)[nH]c1cc(OCCCN(C)C)c(OCCCN(C)C)cc21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type EGFR T790M/L858R mutant (696 to C terminal end) (unknown origin) using poly (Glu-Tyr) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116039 BindingDB Entry DOI: 10.7270/Q2F76H84
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR (unknown origin) T790M/L858R double mutant preincubated for 30 mins followed by poly (Glu-Tyr) biotinylated peptide su...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type EGFR T790M/L858R mutant (696 to C terminal end) (unknown origin) using poly (Glu-Tyr) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116039 BindingDB Entry DOI: 10.7270/Q2F76H84
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type EGFR (696 to C-terminal residues) (unknown origin) preincubated for 30 mins followed by poly (Glu-Tyr) biotinylat...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type EGFR (696 to C terminal end) (unknown origin) using poly (Glu-Tyr) as substrate preincubated for 30 mins followed...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116039 BindingDB Entry DOI: 10.7270/Q2F76H84
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50559514 (CHEMBL4791596) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)[nH]c1cc(OCCCN(C)C)c(OCCCN(C)C)cc21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type EGFR (696 to C terminal end) (unknown origin) using poly (Glu-Tyr) as substrate preincubated for 30 mins followed...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116039 BindingDB Entry DOI: 10.7270/Q2F76H84
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50559511 (CHEMBL4746895) Show SMILES OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)[nH]c1cc(OCCCN(C)C)c(OC)cc21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type EGFR T790M/L858R mutant (696 to C terminal end) (unknown origin) using poly (Glu-Tyr) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116039 BindingDB Entry DOI: 10.7270/Q2F76H84
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452353 (CHEMBL4211835) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OCCCN(C)C)c(OCCCN(C)C)cc21 Show InChI InChI=1S/C21H26NO/c23-18-10-8-17-9-11-21-19(20(17)15-18)7-4-13-22(21)14-12-16-5-2-1-3-6-16/h1-7,13,17-18,20,23H,8-12,14-15H2/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR (unknown origin) T790M/L858R double mutant preincubated for 30 mins followed by poly (Glu-Tyr) biotinylated peptide su...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50559512 (CHEMBL4782900) Show SMILES OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)[nH]c1cc(OCCCN(C)C)c(O)cc21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type EGFR T790M/L858R mutant (696 to C terminal end) (unknown origin) using poly (Glu-Tyr) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116039 BindingDB Entry DOI: 10.7270/Q2F76H84
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50559511 (CHEMBL4746895) Show SMILES OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)[nH]c1cc(OCCCN(C)C)c(OC)cc21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type EGFR (696 to C terminal end) (unknown origin) using poly (Glu-Tyr) as substrate preincubated for 30 mins followed...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116039 BindingDB Entry DOI: 10.7270/Q2F76H84
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50559513 (CHEMBL4750158) Show SMILES OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)[nH]c1cc(O)c(OCCCN(C)C)cc21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type EGFR T790M/L858R mutant (696 to C terminal end) (unknown origin) using poly (Glu-Tyr) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116039 BindingDB Entry DOI: 10.7270/Q2F76H84
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50559513 (CHEMBL4750158) Show SMILES OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)[nH]c1cc(O)c(OCCCN(C)C)cc21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type EGFR (696 to C terminal end) (unknown origin) using poly (Glu-Tyr) as substrate preincubated for 30 mins followed...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116039 BindingDB Entry DOI: 10.7270/Q2F76H84
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50559512 (CHEMBL4782900) Show SMILES OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)[nH]c1cc(OCCCN(C)C)c(O)cc21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type EGFR (696 to C terminal end) (unknown origin) using poly (Glu-Tyr) as substrate preincubated for 30 mins followed...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116039 BindingDB Entry DOI: 10.7270/Q2F76H84
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM9503 (2-[(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethy...) Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccccc2NCc2ccncc2)c1 Show InChI InChI=1S/C20H16F3N3O/c21-20(22,23)15-4-3-5-16(12-15)26-19(27)17-6-1-2-7-18(17)25-13-14-8-10-24-11-9-14/h1-12,25H,13H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Gakushuin University Curated by ChEMBL					Assay Description Inhibition of recombinant KDR at 1 uM by ELISA				Bioorg Med Chem Lett 16: 5127-31 (2006) Article DOI: 10.1016/j.bmcl.2006.07.075 BindingDB Entry DOI: 10.7270/Q2DJ5F8Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452353 (CHEMBL4211835) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OCCCN(C)C)c(OCCCN(C)C)cc21 Show InChI InChI=1S/C21H26NO/c23-18-10-8-17-9-11-21-19(20(17)15-18)7-4-13-22(21)14-12-16-5-2-1-3-6-16/h1-7,13,17-18,20,23H,8-12,14-15H2/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type EGFR (696 to C-terminal residues) (unknown origin) preincubated for 30 mins followed by poly (Glu-Tyr) biotinylat...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452338 (CHEMBL4215397) Show SMILES OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OCCCNC(N)=N)c(OC)cc21 Show InChI InChI=1S/C32H30N4O8/c1-40-22-6-5-17(12-20(22)37)27-28-19-14-25(42-3)26(43-10-4-8-35-32(33)34)15-23(19)44-31(39)30(28)36-9-7-16-11-21(38)24(41-2)13-18(16)29(27)36/h5-7,9,11-15,37-38H,4,8,10H2,1-3H3,(H4,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR (unknown origin) T790M/L858R double mutant preincubated for 30 mins followed by poly (Glu-Tyr) biotinylated peptide su...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452338 (CHEMBL4215397) Show SMILES OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OCCCNC(N)=N)c(OC)cc21 Show InChI InChI=1S/C32H30N4O8/c1-40-22-6-5-17(12-20(22)37)27-28-19-14-25(42-3)26(43-10-4-8-35-32(33)34)15-23(19)44-31(39)30(28)36-9-7-16-11-21(38)24(41-2)13-18(16)29(27)36/h5-7,9,11-15,37-38H,4,8,10H2,1-3H3,(H4,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type EGFR (696 to C-terminal residues) (unknown origin) preincubated for 30 mins followed by poly (Glu-Tyr) biotinylat...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452342 (CHEMBL4210550) Show SMILES OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OCCCN(C)C)c(O)cc21 Show InChI InChI=1S/C32H30N2O8/c1-33(2)9-5-11-41-27-16-25-20(14-23(27)37)29-28(18-6-7-24(39-3)21(35)13-18)30-19-15-26(40-4)22(36)12-17(19)8-10-34(30)31(29)32(38)42-25/h6-8,10,12-16,35-37H,5,9,11H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type EGFR (696 to C-terminal residues) (unknown origin) preincubated for 30 mins followed by poly (Glu-Tyr) biotinylat...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50559510 (CHEMBL4792673) Show SMILES COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)[nH]c1cc(OC)c(OC)cc21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type EGFR T790M/L858R mutant (696 to C terminal end) (unknown origin) using poly (Glu-Tyr) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116039 BindingDB Entry DOI: 10.7270/Q2F76H84
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452342 (CHEMBL4210550) Show SMILES OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OCCCN(C)C)c(O)cc21 Show InChI InChI=1S/C32H30N2O8/c1-33(2)9-5-11-41-27-16-25-20(14-23(27)37)29-28(18-6-7-24(39-3)21(35)13-18)30-19-15-26(40-4)22(36)12-17(19)8-10-34(30)31(29)32(38)42-25/h6-8,10,12-16,35-37H,5,9,11H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR (unknown origin) T790M/L858R double mutant preincubated for 30 mins followed by poly (Glu-Tyr) biotinylated peptide su...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50559509 (CHEMBL4741925) Show SMILES COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)[nH]c1cc(O)c(OC)cc21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type EGFR T790M/L858R mutant (696 to C terminal end) (unknown origin) using poly (Glu-Tyr) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116039 BindingDB Entry DOI: 10.7270/Q2F76H84
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452333 (CHEMBL4206193) Show SMILES OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OCCCN(C)C)c(OC)cc21 Show InChI InChI=1S/C33H32N2O8/c1-34(2)10-6-12-42-28-17-25-21(16-27(28)41-5)30-29(19-7-8-24(39-3)22(36)14-19)31-20-15-26(40-4)23(37)13-18(20)9-11-35(31)32(30)33(38)43-25/h7-9,11,13-17,36-37H,6,10,12H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR (unknown origin) T790M/L858R double mutant preincubated for 30 mins followed by poly (Glu-Tyr) biotinylated peptide su...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452341 (CHEMBL4205688) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OCCN(C)C)c(OCCN(C)C)cc21 Show InChI InChI=1S/C35H37N3O8/c1-36(2)11-13-44-29-18-23-27(19-30(29)45-14-12-37(3)4)46-35(41)34-32(23)31(21-7-8-26(42-5)24(39)16-21)33-22-17-28(43-6)25(40)15-20(22)9-10-38(33)34/h7-10,15-19,39-40H,11-14H2,1-6H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	191	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type EGFR (696 to C-terminal residues) (unknown origin) preincubated for 30 mins followed by poly (Glu-Tyr) biotinylat...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452333 (CHEMBL4206193) Show SMILES OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OCCCN(C)C)c(OC)cc21 Show InChI InChI=1S/C33H32N2O8/c1-34(2)10-6-12-42-28-17-25-21(16-27(28)41-5)30-29(19-7-8-24(39-3)22(36)14-19)31-20-15-26(40-4)23(37)13-18(20)9-11-35(31)32(30)33(38)43-25/h7-9,11,13-17,36-37H,6,10,12H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type EGFR (696 to C-terminal residues) (unknown origin) preincubated for 30 mins followed by poly (Glu-Tyr) biotinylat...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452341 (CHEMBL4205688) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OCCN(C)C)c(OCCN(C)C)cc21 Show InChI InChI=1S/C35H37N3O8/c1-36(2)11-13-44-29-18-23-27(19-30(29)45-14-12-37(3)4)46-35(41)34-32(23)31(21-7-8-26(42-5)24(39)16-21)33-22-17-28(43-6)25(40)15-20(22)9-10-38(33)34/h7-10,15-19,39-40H,11-14H2,1-6H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	233	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR (unknown origin) T790M/L858R double mutant preincubated for 30 mins followed by poly (Glu-Tyr) biotinylated peptide su...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452332 (CHEMBL4218447) Show SMILES COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OC)c(O)cc21 Show InChI InChI=1S/C28H21NO8/c1-34-20-5-4-14(9-17(20)30)24-25-16-10-19(32)23(36-3)12-21(16)37-28(33)27(25)29-7-6-13-8-18(31)22(35-2)11-15(13)26(24)29/h4-12,30-32H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	249	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type EGFR (696 to C-terminal residues) (unknown origin) preincubated for 30 mins followed by poly (Glu-Tyr) biotinylat...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50559510 (CHEMBL4792673) Show SMILES COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)[nH]c1cc(OC)c(OC)cc21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	259	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type EGFR (696 to C terminal end) (unknown origin) using poly (Glu-Tyr) as substrate preincubated for 30 mins followed...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116039 BindingDB Entry DOI: 10.7270/Q2F76H84
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50559509 (CHEMBL4741925) Show SMILES COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)[nH]c1cc(O)c(OC)cc21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	308	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type EGFR (696 to C terminal end) (unknown origin) using poly (Glu-Tyr) as substrate preincubated for 30 mins followed...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116039 BindingDB Entry DOI: 10.7270/Q2F76H84
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452332 (CHEMBL4218447) Show SMILES COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OC)c(O)cc21 Show InChI InChI=1S/C28H21NO8/c1-34-20-5-4-14(9-17(20)30)24-25-16-10-19(32)23(36-3)12-21(16)37-28(33)27(25)29-7-6-13-8-18(31)22(35-2)11-15(13)26(24)29/h4-12,30-32H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	397	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR (unknown origin) T790M/L858R double mutant preincubated for 30 mins followed by poly (Glu-Tyr) biotinylated peptide su...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452352 (CHEMBL4213519) Show SMILES OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OCCN(C)C)c(OC)cc21 Show InChI InChI=1S/C16H24NO/c1-2-9-17-10-3-4-15-14-7-6-13(18)11-12(14)5-8-16(15)17/h3-4,10,12-14,18H,2,5-9,11H2,1H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR (unknown origin) T790M/L858R double mutant preincubated for 30 mins followed by poly (Glu-Tyr) biotinylated peptide su...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452352 (CHEMBL4213519) Show SMILES OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OCCN(C)C)c(OC)cc21 Show InChI InChI=1S/C16H24NO/c1-2-9-17-10-3-4-15-14-7-6-13(18)11-12(14)5-8-16(15)17/h3-4,10,12-14,18H,2,5-9,11H2,1H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	595	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type EGFR (696 to C-terminal residues) (unknown origin) preincubated for 30 mins followed by poly (Glu-Tyr) biotinylat...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452351 (CHEMBL4217913) Show SMILES OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OC)c(OCCN(C)C)cc21 Show InChI InChI=1S/C22H28NO/c1-24-19-11-9-18-10-12-22-20(21(18)16-19)8-5-14-23(22)15-13-17-6-3-2-4-7-17/h2-8,14,18-19,21H,9-13,15-16H2,1H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	842	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type EGFR (696 to C-terminal residues) (unknown origin) preincubated for 30 mins followed by poly (Glu-Tyr) biotinylat...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452343 (CHEMBL4214035) Show SMILES COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OC)c(OC)cc21 Show InChI InChI=1S/C29H23NO8/c1-34-20-6-5-15(10-18(20)31)25-26-17-12-23(36-3)24(37-4)13-21(17)38-29(33)28(26)30-8-7-14-9-19(32)22(35-2)11-16(14)27(25)30/h5-13,31-32H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type EGFR (696 to C-terminal residues) (unknown origin) preincubated for 30 mins followed by poly (Glu-Tyr) biotinylat...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452351 (CHEMBL4217913) Show SMILES OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OC)c(OCCN(C)C)cc21 Show InChI InChI=1S/C22H28NO/c1-24-19-11-9-18-10-12-22-20(21(18)16-19)8-5-14-23(22)15-13-17-6-3-2-4-7-17/h2-8,14,18-19,21H,9-13,15-16H2,1H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR (unknown origin) T790M/L858R double mutant preincubated for 30 mins followed by poly (Glu-Tyr) biotinylated peptide su...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452350 (CHEMBL4216798) Show SMILES CS(O)(=O)=O.CS(O)(=O)=O.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OCCCN3CCOCC3)c(OCCCN3CCOCC3)cc21 Show InChI InChI=1S/C15H22NO/c1-2-16-9-3-4-13-14-10-12(17)7-5-11(14)6-8-15(13)16/h3-4,9,11-12,14,17H,2,5-8,10H2,1H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR (unknown origin) T790M/L858R double mutant preincubated for 30 mins followed by poly (Glu-Tyr) biotinylated peptide su...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077360 (3,10-Dihydroxy-13-(3-hydroxy-4-methoxy-phenyl)-2,1...) Show SMILES COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(O)c(OC)cc21 Show InChI InChI=1S/C28H21NO8/c1-34-20-5-4-14(9-17(20)30)24-25-16-11-23(36-3)19(32)12-21(16)37-28(33)27(25)29-7-6-13-8-18(31)22(35-2)10-15(13)26(24)29/h4-12,30-32H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR (unknown origin) T790M/L858R double mutant preincubated for 30 mins followed by poly (Glu-Tyr) biotinylated peptide su...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type EGFR T790M/L858R mutant (696 to C terminal end) (unknown origin) using poly (Glu-Tyr) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116039 BindingDB Entry DOI: 10.7270/Q2F76H84
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452350 (CHEMBL4216798) Show SMILES CS(O)(=O)=O.CS(O)(=O)=O.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OCCCN3CCOCC3)c(OCCCN3CCOCC3)cc21 Show InChI InChI=1S/C15H22NO/c1-2-16-9-3-4-13-14-10-12(17)7-5-11(14)6-8-15(13)16/h3-4,9,11-12,14,17H,2,5-8,10H2,1H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type EGFR (696 to C-terminal residues) (unknown origin) preincubated for 30 mins followed by poly (Glu-Tyr) biotinylat...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452340 (CHEMBL4216281) Show SMILES OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OCCNC(N)=N)c(OC)cc21 Show InChI InChI=1S/C31H28N4O8/c1-39-21-5-4-16(11-19(21)36)26-27-18-13-24(41-3)25(42-9-7-34-31(32)33)14-22(18)43-30(38)29(27)35-8-6-15-10-20(37)23(40-2)12-17(15)28(26)35/h4-6,8,10-14,36-37H,7,9H2,1-3H3,(H4,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type EGFR (696 to C-terminal residues) (unknown origin) preincubated for 30 mins followed by poly (Glu-Tyr) biotinylat...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452343 (CHEMBL4214035) Show SMILES COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OC)c(OC)cc21 Show InChI InChI=1S/C29H23NO8/c1-34-20-6-5-15(10-18(20)31)25-26-17-12-23(36-3)24(37-4)13-21(17)38-29(33)28(26)30-8-7-14-9-19(32)22(35-2)11-16(14)27(25)30/h5-13,31-32H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR (unknown origin) T790M/L858R double mutant preincubated for 30 mins followed by poly (Glu-Tyr) biotinylated peptide su...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50452340 (CHEMBL4216281) Show SMILES OC(=O)C(F)(F)F.COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OCCNC(N)=N)c(OC)cc21 Show InChI InChI=1S/C31H28N4O8/c1-39-21-5-4-16(11-19(21)36)26-27-18-13-24(41-3)25(42-9-7-34-31(32)33)14-22(18)43-30(38)29(27)35-8-6-15-10-20(37)23(40-2)12-17(15)28(26)35/h4-6,8,10-14,36-37H,7,9H2,1-3H3,(H4,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR (unknown origin) T790M/L858R double mutant preincubated for 30 mins followed by poly (Glu-Tyr) biotinylated peptide su...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR (unknown origin) T790M/L858R double mutant preincubated for 30 mins followed by poly (Glu-Tyr) biotinylated peptide su...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077360 (3,10-Dihydroxy-13-(3-hydroxy-4-methoxy-phenyl)-2,1...) Show SMILES COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(O)c(OC)cc21 Show InChI InChI=1S/C28H21NO8/c1-34-20-5-4-14(9-17(20)30)24-25-16-11-23(36-3)19(32)12-21(16)37-28(33)27(25)29-7-6-13-8-18(31)22(35-2)10-15(13)26(24)29/h4-12,30-32H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type EGFR (696 to C-terminal residues) (unknown origin) preincubated for 30 mins followed by poly (Glu-Tyr) biotinylat...				Bioorg Med Chem 25: 6563-6580 (2017) Article DOI: 10.1016/j.bmc.2017.10.030 BindingDB Entry DOI: 10.7270/Q2RB7764
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50478728 (CHEMBL490266 | TX-2036) Show SMILES [#6]C([#6])([#6])c1ccc(-[#8]-[#6]-[#6@@H](-[#6]-n2ccnc2-[#7+](-[#8-])=O)-[#8]-[#6](=O)-c2ccc(-[#7]\[#6]=[#6]-3/[#6](=O)-[#6]=[#6]-[#6]-3=O)cc2)cc1 |r,c:33| Show InChI InChI=1S/C29H28N4O7/c1-29(2,3)20-6-10-22(11-7-20)39-18-23(17-32-15-14-30-28(32)33(37)38)40-27(36)19-4-8-21(9-5-19)31-16-24-25(34)12-13-26(24)35/h4-16,23,31H,17-18H2,1-3H3/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokushima Curated by ChEMBL					Assay Description Inhibition of human A431 cell EGFRK assessed as 32P phosphorylation by scintillation counter				Bioorg Med Chem 16: 6042-53 (2008) Article DOI: 10.1016/j.bmc.2008.04.041 BindingDB Entry DOI: 10.7270/Q2FX7D85
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50478724 (CHEMBL484119) Show SMILES [#6]-[#8]-[#6]-[#6@@H](-[#6]-n1ccnc1-[#7+](-[#8-])=O)-[#8]-[#6](=O)-c1ccc(-[#7]\[#6]=[#6]-2/[#6](=O)-[#6]=[#6]-[#6]-2=O)cc1 |r,c:26| Show InChI InChI=1S/C20H18N4O7/c1-30-12-15(11-23-9-8-21-20(23)24(28)29)31-19(27)13-2-4-14(5-3-13)22-10-16-17(25)6-7-18(16)26/h2-10,15,22H,11-12H2,1H3/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokushima Curated by ChEMBL					Assay Description Inhibition of human A431 cell EGFRK assessed as 32P phosphorylation by scintillation counter				Bioorg Med Chem 16: 6042-53 (2008) Article DOI: 10.1016/j.bmc.2008.04.041 BindingDB Entry DOI: 10.7270/Q2FX7D85
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3 (Homo sapiens (Human))	BDBM50070088 (3-{1-[2-(2-Hydroxy-ethoxy)-ethyl]-1H-indol-3-yl}-4...) Show SMILES OCCOCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C24H21N3O4/c28-10-12-31-11-9-27-14-18(16-6-2-4-8-20(16)27)22-21(23(29)26-24(22)30)17-13-25-19-7-3-1-5-15(17)19/h1-8,13-14,25,28H,9-12H2,(H,26,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex				Bioorg Med Chem Lett 8: 1019-22 (1999) BindingDB Entry DOI: 10.7270/Q27W6BBN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3 (Homo sapiens (Human))	BDBM50070093 (3,4-bis(indol-3-yl)maleimide derivative | CHEMBL73...) Show SMILES CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSCCOCCOCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12)NC(C)=O |t:44| Show InChI InChI=1S/C49H66N10O9S/c1-31(60)54-39(49(66)59-21-11-18-41(59)46(63)56-38(16-8-10-20-51)45(62)55-37(44(61)52-2)15-7-9-19-50)30-69-27-26-68-25-24-67-23-22-58-29-35(33-13-4-6-17-40(33)58)43-42(47(64)57-48(43)65)34-28-53-36-14-5-3-12-32(34)36/h3-6,12-14,17,28-29,37-39,41,53H,7-11,15-16,18-27,30,50-51H2,1-2H3,(H,52,61)(H,54,60)(H,55,62)(H,56,63)(H,57,64,65)/t37-,38-,39-,41-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex				Bioorg Med Chem Lett 8: 1019-22 (1999) BindingDB Entry DOI: 10.7270/Q27W6BBN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3 (Homo sapiens (Human))	BDBM2583 (3,4-Bis(3-indolyl)-1H-pyrrole-2,5-dione | 3,4-bis(...) Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:5| Show InChI InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex				Bioorg Med Chem Lett 8: 1019-22 (1999) BindingDB Entry DOI: 10.7270/Q27W6BBN
					More data for this Ligand-Target Pair

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