Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50014757   

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))	BDBM50579857 (CHEMBL5077776) Show SMILES COc1ccccc1Nc1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EGFR (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mins in presence o...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579860 (CHEMBL5076067) Show SMILES COc1ccccc1Nc1ncc(Cl)c(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mi...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579857 (CHEMBL5077776) Show SMILES COc1ccccc1Nc1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mi...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579860 (CHEMBL5076067) Show SMILES COc1ccccc1Nc1ncc(Cl)c(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EGFR (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mins in presence o...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EGFR (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mins in presence o...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EGFR (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mins in presence o...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579862 (CHEMBL5079430) Show SMILES CC(C)Oc1ccccc1Nc1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EGFR (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mins in presence o...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mi...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579861 (CHEMBL5085118) Show SMILES COc1ccccc1Nc1ncc(C)c(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mi...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579862 (CHEMBL5079430) Show SMILES CC(C)Oc1ccccc1Nc1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mi...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579861 (CHEMBL5085118) Show SMILES COc1ccccc1Nc1ncc(C)c(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EGFR (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mins in presence o...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mi...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579858 (CHEMBL5088102) Show SMILES COc1ccccc1Nc1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C#CN(C)C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mi...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579858 (CHEMBL5088102) Show SMILES COc1ccccc1Nc1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C#CN(C)C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EGFR (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mins in presence o...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579854 (CHEMBL5085136) Show SMILES C=CC(=O)N1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(n1)-c1ccc2OCOc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mi...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579856 (CHEMBL5083976) Show SMILES COc1cccc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mi...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579856 (CHEMBL5083976) Show SMILES COc1cccc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EGFR (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mins in presence o...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579859 (CHEMBL5089073) Show SMILES COc1ccccc1Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mi...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579854 (CHEMBL5085136) Show SMILES C=CC(=O)N1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(n1)-c1ccc2OCOc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EGFR (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mins in presence o...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579859 (CHEMBL5089073) Show SMILES COc1ccccc1Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EGFR (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mins in presence o...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579855 (CHEMBL5082422) Show SMILES CC#CC(=O)Nc1cccc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	499	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mi...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	286	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGF-induced phosphorylation of wild type EGFR in human NCI-H1975 cells preincubated for 120 mins followed by EGF stimulation and measur...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579857 (CHEMBL5077776) Show SMILES COc1ccccc1Nc1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	308	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGF-induced phosphorylation of wild type EGFR in human NCI-H1975 cells preincubated for 120 mins followed by EGF stimulation and measur...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579860 (CHEMBL5076067) Show SMILES COc1ccccc1Nc1ncc(Cl)c(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	277	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGF-induced phosphorylation of wild type EGFR in human NCI-H1975 cells preincubated for 120 mins followed by EGF stimulation and measur...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579861 (CHEMBL5085118) Show SMILES COc1ccccc1Nc1ncc(C)c(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	165	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGF-induced phosphorylation of wild type EGFR in human NCI-H1975 cells preincubated for 120 mins followed by EGF stimulation and measur...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579862 (CHEMBL5079430) Show SMILES CC(C)Oc1ccccc1Nc1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	562	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGF-induced phosphorylation of wild type EGFR in human NCI-H1975 cells preincubated for 120 mins followed by EGF stimulation and measur...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	480	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGF-induced phosphorylation of wild type EGFR in human LoVo cells preincubated for 2 hrs followed by EGF stimulation and measured after...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	2.38E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGF-induced phosphorylation of wild type EGFR in human A-431 cells preincubated for 2 hrs followed by EGF stimulation and measured afte...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	2.37E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGF-induced phosphorylation of wild type EGFR in human A-431 cells preincubated for 2 hrs followed by EGF stimulation and measured afte...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					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	n/a	n/a	7.5	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGF-induced phosphorylation of wild type EGFR in human NCI-H1975 cells preincubated for 120 mins followed by EGF stimulation and measur...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579862 (CHEMBL5079430) Show SMILES CC(C)Oc1ccccc1Nc1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.80	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGF-induced phosphorylation of EGFR T790M/L858R double mutant in human NCI-H1975 cells preincubated for 120 mins followed by EGF stimul...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579861 (CHEMBL5085118) Show SMILES COc1ccccc1Nc1ncc(C)c(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGF-induced phosphorylation of EGFR T790M/L858R double mutant in human NCI-H1975 cells preincubated for 120 mins followed by EGF stimul...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579860 (CHEMBL5076067) Show SMILES COc1ccccc1Nc1ncc(Cl)c(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGF-induced phosphorylation of EGFR T790M/L858R double mutant in human NCI-H1975 cells preincubated for 120 mins followed by EGF stimul...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579859 (CHEMBL5089073) Show SMILES COc1ccccc1Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGF-induced phosphorylation of EGFR T790M/L858R double mutant in human NCI-H1975 cells preincubated for 120 mins followed by EGF stimul...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579857 (CHEMBL5077776) Show SMILES COc1ccccc1Nc1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGF-induced phosphorylation of EGFR T790M/L858R double mutant in human NCI-H1975 cells preincubated for 120 mins followed by EGF stimul...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579856 (CHEMBL5083976) Show SMILES COc1cccc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	2.55E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGF-induced phosphorylation of EGFR T790M/L858R double mutant in human NCI-H1975 cells preincubated for 120 mins followed by EGF stimul...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	57	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGF-induced phosphorylation of EGFR T790M/L858R double mutant in human NCI-H1975 cells preincubated for 120 mins followed by EGF stimul...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					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	n/a	n/a	30	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGF-induced phosphorylation of EGFR T790M/L858R double mutant in human NCI-H1975 cells preincubated for 120 mins followed by EGF stimul...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	1.87E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGF-induced phosphorylation of wild type EGFR in human NCI-H2073 cells preincubated for 2 hrs followed by EGF stimulation and measured ...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50579858 (CHEMBL5088102) Show SMILES COc1ccccc1Nc1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C#CN(C)C)CNC2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.18E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGF-induced phosphorylation of EGFR T790M/L858R double mutant in human NCI-H1975 cells preincubated for 120 mins followed by EGF stimul...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6
					More data for this Ligand-Target Pair