Compile Data Set for Download or QSAR

Found 87 hits with Last Name = 'dominguez-fernandez' and Initial = 'b'   

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))	BDBM50498973 (CHEMBL3734934) Show SMILES CC(C)n1c(CO)nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)[C@H](F)C3)cc12 |r| Show InChI InChI=1S/C19H24FN7O2/c1-11(2)27-14-7-17(22-8-13(14)23-18(27)10-28)24-16-3-5-21-19(25-16)26-6-4-15(29)12(20)9-26/h3,5,7-8,11-12,15,28-29H,4,6,9-10H2,1-2H3,(H,21,22,24,25)/t12-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EGFR using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substrate measured afte...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498986 (CHEMBL3736121) Show SMILES CO[C@H]1CCN(C[C@H]1F)c1nccc(Nc2cc3n([C@H](C)C(F)(F)F)c(nc3cn2)[C@@H](C)O)n1 |r| Show InChI InChI=1S/C21H25F4N7O2/c1-11(33)19-28-14-9-27-18(8-15(14)32(19)12(2)21(23,24)25)29-17-4-6-26-20(30-17)31-7-5-16(34-3)13(22)10-31/h4,6,8-9,11-13,16,33H,5,7,10H2,1-3H3,(H,26,27,29,30)/t11-,12-,13-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498974 (CHEMBL3734988) Show SMILES C[C@@H](O)c1nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)[C@H](F)C3)cc2n1[C@H](C)C(F)(F)F |r| Show InChI InChI=1S/C20H23F4N7O2/c1-10(32)18-27-13-8-26-17(7-14(13)31(18)11(2)20(22,23)24)28-16-3-5-25-19(29-16)30-6-4-15(33)12(21)9-30/h3,5,7-8,10-12,15,32-33H,4,6,9H2,1-2H3,(H,25,26,28,29)/t10-,11-,12-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498976 (CHEMBL3736183) Show SMILES CO[C@H]1CCN(C[C@H]1F)c1nccc(Nc2cc3n(C(C)C)c(C)nc3cn2)n1 |r| Show InChI InChI=1S/C20H26FN7O/c1-12(2)28-13(3)24-15-10-23-19(9-16(15)28)25-18-5-7-22-20(26-18)27-8-6-17(29-4)14(21)11-27/h5,7,9-10,12,14,17H,6,8,11H2,1-4H3,(H,22,23,25,26)/t14-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498989 (CHEMBL3734933) Show SMILES CO[C@H]1CCN(C[C@H]1F)c1nccc(Nc2cc3n(C(C)C)c(CO)nc3cn2)n1 |r| Show InChI InChI=1S/C20H26FN7O2/c1-12(2)28-15-8-18(23-9-14(15)24-19(28)11-29)25-17-4-6-22-20(26-17)27-7-5-16(30-3)13(21)10-27/h4,6,8-9,12-13,16,29H,5,7,10-11H2,1-3H3,(H,22,23,25,26)/t13-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498974 (CHEMBL3734988) Show SMILES C[C@@H](O)c1nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)[C@H](F)C3)cc2n1[C@H](C)C(F)(F)F |r| Show InChI InChI=1S/C20H23F4N7O2/c1-10(32)18-27-13-8-26-17(7-14(13)31(18)11(2)20(22,23)24)28-16-3-5-25-19(29-16)30-6-4-15(33)12(21)9-30/h3,5,7-8,10-12,15,32-33H,4,6,9H2,1-2H3,(H,25,26,28,29)/t10-,11-,12-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/del (746 to 750) deletion mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by additi...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498986 (CHEMBL3736121) Show SMILES CO[C@H]1CCN(C[C@H]1F)c1nccc(Nc2cc3n([C@H](C)C(F)(F)F)c(nc3cn2)[C@@H](C)O)n1 |r| Show InChI InChI=1S/C21H25F4N7O2/c1-11(33)19-28-14-9-27-18(8-15(14)32(19)12(2)21(23,24)25)29-17-4-6-26-20(30-17)31-7-5-16(34-3)13(22)10-31/h4,6,8-9,11-13,16,33H,5,7,10H2,1-3H3,(H,26,27,29,30)/t11-,12-,13-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/del (746 to 750) deletion mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by additi...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498990 (CHEMBL3735474) Show SMILES CO[C@H]1CCN(CC1(F)F)c1nccc(Nc2cc3n(C(C)C)c(CO)nc3cn2)n1 |r| Show InChI InChI=1S/C20H25F2N7O2/c1-12(2)29-14-8-17(24-9-13(14)25-18(29)10-30)26-16-4-6-23-19(27-16)28-7-5-15(31-3)20(21,22)11-28/h4,6,8-9,12,15,30H,5,7,10-11H2,1-3H3,(H,23,24,26,27)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498985 (CHEMBL3734786) Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)C(F)(F)C3)cc12 |r| Show InChI InChI=1S/C19H23F2N7O/c1-11(2)28-12(3)24-13-9-23-17(8-14(13)28)25-16-4-6-22-18(26-16)27-7-5-15(29)19(20,21)10-27/h4,6,8-9,11,15,29H,5,7,10H2,1-3H3,(H,22,23,25,26)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50499002 (CHEMBL3735958) Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)[C@H](F)C3)cc12 |r| Show InChI InChI=1S/C19H24FN7O/c1-11(2)27-12(3)23-14-9-22-18(8-15(14)27)24-17-4-6-21-19(25-17)26-7-5-16(28)13(20)10-26/h4,6,8-9,11,13,16,28H,5,7,10H2,1-3H3,(H,21,22,24,25)/t13-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498978 (CHEMBL3735250) Show SMILES CCC(C)n1cnc2cnc(Nc3ccnc(n3)N3CCC(CC3)OC)cc12 Show InChI InChI=1S/C20H27N7O/c1-4-14(2)27-13-23-16-12-22-19(11-17(16)27)24-18-5-8-21-20(25-18)26-9-6-15(28-3)7-10-26/h5,8,11-15H,4,6-7,9-10H2,1-3H3,(H,21,22,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498978 (CHEMBL3735250) Show SMILES CCC(C)n1cnc2cnc(Nc3ccnc(n3)N3CCC(CC3)OC)cc12 Show InChI InChI=1S/C20H27N7O/c1-4-14(2)27-13-23-16-12-22-19(11-17(16)27)24-18-5-8-21-20(25-18)26-9-6-15(28-3)7-10-26/h5,8,11-15H,4,6-7,9-10H2,1-3H3,(H,21,22,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498973 (CHEMBL3734934) Show SMILES CC(C)n1c(CO)nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)[C@H](F)C3)cc12 |r| Show InChI InChI=1S/C19H24FN7O2/c1-11(2)27-14-7-17(22-8-13(14)23-18(27)10-28)24-16-3-5-21-19(25-16)26-6-4-15(29)12(20)9-26/h3,5,7-8,11-12,15,28-29H,4,6,9-10H2,1-2H3,(H,21,22,24,25)/t12-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498978 (CHEMBL3735250) Show SMILES CCC(C)n1cnc2cnc(Nc3ccnc(n3)N3CCC(CC3)OC)cc12 Show InChI InChI=1S/C20H27N7O/c1-4-14(2)27-13-23-16-12-22-19(11-17(16)27)24-18-5-8-21-20(25-18)26-9-6-15(28-3)7-10-26/h5,8,11-15H,4,6-7,9-10H2,1-3H3,(H,21,22,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498994 (CHEMBL3735335) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C2CCCCC2)n1 Show InChI InChI=1S/C22H29N7O/c1-30-17-8-11-28(12-9-17)22-23-10-7-20(27-22)26-21-13-19-18(14-24-21)25-15-29(19)16-5-3-2-4-6-16/h7,10,13-17H,2-6,8-9,11-12H2,1H3,(H,23,24,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498977 (CHEMBL3736508) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(C)nc3cn2)n1 Show InChI InChI=1S/C20H27N7O/c1-13(2)27-14(3)23-16-12-22-19(11-17(16)27)24-18-5-8-21-20(25-18)26-9-6-15(28-4)7-10-26/h5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,21,22,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50499001 (CHEMBL3734877) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(CO)nc3cn2)n1 |@@:2| Show InChI InChI=1S/C20H27N7O2/c1-13(2)27-16-10-18(22-11-15(16)23-19(27)12-28)24-17-4-7-21-20(25-17)26-8-5-14(29-3)6-9-26/h4,7,10-11,13-14,28H,5-6,8-9,12H2,1-3H3,(H,21,22,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498980 (CHEMBL3734825) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C2CCCC2)n1 Show InChI InChI=1S/C21H27N7O/c1-29-16-7-10-27(11-8-16)21-22-9-6-19(26-21)25-20-12-18-17(13-23-20)24-14-28(18)15-4-2-3-5-15/h6,9,12-16H,2-5,7-8,10-11H2,1H3,(H,22,23,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498984 (CHEMBL3735689) Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(NCC(C)(C)C(N)=O)n3)cc12 Show InChI InChI=1S/C19H26N8O/c1-11(2)27-12(3)24-13-9-22-16(8-14(13)27)25-15-6-7-21-18(26-15)23-10-19(4,5)17(20)28/h6-9,11H,10H2,1-5H3,(H2,20,28)(H2,21,22,23,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498983 (CHEMBL3736395) Show SMILES COC1(CO)CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(C)nc3cn2)n1 Show InChI InChI=1S/C21H29N7O2/c1-14(2)28-15(3)24-16-12-23-19(11-17(16)28)25-18-5-8-22-20(26-18)27-9-6-21(13-29,30-4)7-10-27/h5,8,11-12,14,29H,6-7,9-10,13H2,1-4H3,(H,22,23,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50499005 (CHEMBL3736365) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C(C)C(F)(F)F)n1 Show InChI InChI=1S/C19H22F3N7O/c1-12(19(20,21)22)29-11-25-14-10-24-17(9-15(14)29)26-16-3-6-23-18(27-16)28-7-4-13(30-2)5-8-28/h3,6,9-13H,4-5,7-8H2,1-2H3,(H,23,24,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498999 (CHEMBL3736430) Show SMILES COC1(CCN)CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(C)nc3cn2)n1 Show InChI InChI=1S/C22H32N8O/c1-15(2)30-16(3)26-17-14-25-20(13-18(17)30)27-19-5-10-24-21(28-19)29-11-7-22(31-4,6-9-23)8-12-29/h5,10,13-15H,6-9,11-12,23H2,1-4H3,(H,24,25,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50499003 (CHEMBL3735533) Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(n3)N3CCC(O)CC3)cc12 Show InChI InChI=1S/C19H25N7O/c1-12(2)26-13(3)22-15-11-21-18(10-16(15)26)23-17-4-7-20-19(24-17)25-8-5-14(27)6-9-25/h4,7,10-12,14,27H,5-6,8-9H2,1-3H3,(H,20,21,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50499010 (CHEMBL3735782) Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(NCC(C)(C)S(C)(=O)=O)n3)cc12 Show InChI InChI=1S/C19H27N7O2S/c1-12(2)26-13(3)23-14-10-21-17(9-15(14)26)24-16-7-8-20-18(25-16)22-11-19(4,5)29(6,27)28/h7-10,12H,11H2,1-6H3,(H2,20,21,22,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50032628 (CHEMBL3354190) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C(C)C)n1 Show InChI InChI=1S/C19H25N7O/c1-13(2)26-12-22-15-11-21-18(10-16(15)26)23-17-4-7-20-19(24-17)25-8-5-14(27-3)6-9-25/h4,7,10-14H,5-6,8-9H2,1-3H3,(H,20,21,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498975 (CHEMBL3735740) Show SMILES CO[C@H]1CCN(C[C@@H]1F)c1nccc(Nc2cc3n(C(C)C)c(C)nc3cn2)n1 |r| Show InChI InChI=1S/C20H26FN7O/c1-12(2)28-13(3)24-15-10-23-19(9-16(15)28)25-18-5-7-22-20(26-18)27-8-6-17(29-4)14(21)11-27/h5,7,9-10,12,14,17H,6,8,11H2,1-4H3,(H,22,23,25,26)/t14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498981 (CHEMBL3736409) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C2CCC2)n1 Show InChI InChI=1S/C20H25N7O/c1-28-15-6-9-26(10-7-15)20-21-8-5-18(25-20)24-19-11-17-16(12-22-19)23-13-27(17)14-3-2-4-14/h5,8,11-15H,2-4,6-7,9-10H2,1H3,(H,21,22,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498998 (CHEMBL3736191) Show SMILES COC1(CCO)CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(C)nc3cn2)n1 Show InChI InChI=1S/C22H31N7O2/c1-15(2)29-16(3)25-17-14-24-20(13-18(17)29)26-19-5-9-23-21(27-19)28-10-6-22(31-4,7-11-28)8-12-30/h5,9,13-15,30H,6-8,10-12H2,1-4H3,(H,23,24,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50499004 (CHEMBL3736210) Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(OCC(C)(C)S(C)(=O)=O)n3)cc12 Show InChI InChI=1S/C19H26N6O3S/c1-12(2)25-13(3)22-14-10-21-17(9-15(14)25)23-16-7-8-20-18(24-16)28-11-19(4,5)29(6,26)27/h7-10,12H,11H2,1-6H3,(H,20,21,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498992 (CHEMBL3736181) Show SMILES CO[C@H]1CCN(C[C@@H]1F)c1nccc(Nc2cc3n(C(C)C)c(CO)nc3cn2)n1 |r| Show InChI InChI=1S/C20H26FN7O2/c1-12(2)28-15-8-18(23-9-14(15)24-19(28)11-29)25-17-4-6-22-20(26-17)27-7-5-16(30-3)13(21)10-27/h4,6,8-9,12-13,16,29H,5,7,10-11H2,1-3H3,(H,22,23,25,26)/t13-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498996 (CHEMBL3735045) Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(n3)N3CCC(CC3)S(C)(=O)=O)cc12 Show InChI InChI=1S/C20H27N7O2S/c1-13(2)27-14(3)23-16-12-22-19(11-17(16)27)24-18-5-8-21-20(25-18)26-9-6-15(7-10-26)30(4,28)29/h5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,21,22,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50499009 (CHEMBL3736254) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(CC(F)(F)F)cnc3cn2)n1 Show InChI InChI=1S/C18H20F3N7O/c1-29-12-3-6-27(7-4-12)17-22-5-2-15(26-17)25-16-8-14-13(9-23-16)24-11-28(14)10-18(19,20)21/h2,5,8-9,11-12H,3-4,6-7,10H2,1H3,(H,22,23,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498995 (CHEMBL3735725) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C2CCOCC2)n1 Show InChI InChI=1S/C21H27N7O2/c1-29-16-3-8-27(9-4-16)21-22-7-2-19(26-21)25-20-12-18-17(13-23-20)24-14-28(18)15-5-10-30-11-6-15/h2,7,12-16H,3-6,8-11H2,1H3,(H,22,23,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498997 (CHEMBL3735848) Show SMILES COCC1(CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(C)nc3cn2)n1)OC Show InChI InChI=1S/C22H31N7O2/c1-15(2)29-16(3)25-17-13-24-20(12-18(17)29)26-19-6-9-23-21(27-19)28-10-7-22(31-5,8-11-28)14-30-4/h6,9,12-13,15H,7-8,10-11,14H2,1-5H3,(H,23,24,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50499007 (CHEMBL3736178) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C2CC2)n1 Show InChI InChI=1S/C19H23N7O/c1-27-14-5-8-25(9-6-14)19-20-7-4-17(24-19)23-18-10-16-15(11-21-18)22-12-26(16)13-2-3-13/h4,7,10-14H,2-3,5-6,8-9H2,1H3,(H,20,21,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498986 (CHEMBL3736121) Show SMILES CO[C@H]1CCN(C[C@H]1F)c1nccc(Nc2cc3n([C@H](C)C(F)(F)F)c(nc3cn2)[C@@H](C)O)n1 |r| Show InChI InChI=1S/C21H25F4N7O2/c1-11(33)19-28-14-9-27-18(8-15(14)32(19)12(2)21(23,24)25)29-17-4-6-26-20(30-17)31-7-5-16(34-3)13(22)10-31/h4,6,8-9,11-13,16,33H,5,7,10H2,1-3H3,(H,26,27,29,30)/t11-,12-,13-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EGFR using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substrate measured afte...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498972 (CHEMBL3735638) Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(n3)N3CCC(C)(C3)C(N)=O)cc12 Show InChI InChI=1S/C20H26N8O/c1-12(2)28-13(3)24-14-10-23-17(9-15(14)28)25-16-5-7-22-19(26-16)27-8-6-20(4,11-27)18(21)29/h5,7,9-10,12H,6,8,11H2,1-4H3,(H2,21,29)(H,22,23,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498982 (CHEMBL3734928) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C2CCOC2)n1 Show InChI InChI=1S/C20H25N7O2/c1-28-15-3-7-26(8-4-15)20-21-6-2-18(25-20)24-19-10-17-16(11-22-19)23-13-27(17)14-5-9-29-12-14/h2,6,10-11,13-15H,3-5,7-9,12H2,1H3,(H,21,22,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498989 (CHEMBL3734933) Show SMILES CO[C@H]1CCN(C[C@H]1F)c1nccc(Nc2cc3n(C(C)C)c(CO)nc3cn2)n1 |r| Show InChI InChI=1S/C20H26FN7O2/c1-12(2)28-15-8-18(23-9-14(15)24-19(28)11-29)25-17-4-6-22-20(26-17)27-7-5-16(30-3)13(21)10-27/h4,6,8-9,12-13,16,29H,5,7,10-11H2,1-3H3,(H,22,23,25,26)/t13-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EGFR using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substrate measured afte...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50499008 (CHEMBL3735410) Show SMILES CC(C)n1cnc2cnc(Nc3ccnc(n3)N3CCC(CC3)C(N)=O)cc12 Show InChI InChI=1S/C19H24N8O/c1-12(2)27-11-23-14-10-22-17(9-15(14)27)24-16-3-6-21-19(25-16)26-7-4-13(5-8-26)18(20)28/h3,6,9-13H,4-5,7-8H2,1-2H3,(H2,20,28)(H,21,22,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498987 (CHEMBL3735559) Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(\C=C\C(C)(C)C(N)=O)n3)cc12 Show InChI InChI=1S/C20H25N7O/c1-12(2)27-13(3)24-14-11-23-18(10-15(14)27)26-17-7-9-22-16(25-17)6-8-20(4,5)19(21)28/h6-12H,1-5H3,(H2,21,28)(H,22,23,25,26)/b8-6+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50499006 (CHEMBL3735892) Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(OCC(C)(C)C(N)=O)n3)cc12 Show InChI InChI=1S/C19H25N7O2/c1-11(2)26-12(3)23-13-9-22-16(8-14(13)26)24-15-6-7-21-18(25-15)28-10-19(4,5)17(20)27/h6-9,11H,10H2,1-5H3,(H2,20,27)(H,21,22,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498993 (CHEMBL3736094) Show SMILES CCn1cnc2cnc(Nc3ccnc(n3)N3CCC(CC3)OC)cc12 Show InChI InChI=1S/C18H23N7O/c1-3-24-12-21-14-11-20-17(10-15(14)24)22-16-4-7-19-18(23-16)25-8-5-13(26-2)6-9-25/h4,7,10-13H,3,5-6,8-9H2,1-2H3,(H,19,20,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	201	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498990 (CHEMBL3735474) Show SMILES CO[C@H]1CCN(CC1(F)F)c1nccc(Nc2cc3n(C(C)C)c(CO)nc3cn2)n1 |r| Show InChI InChI=1S/C20H25F2N7O2/c1-12(2)29-14-8-17(24-9-13(14)25-18(29)10-30)26-16-4-6-23-19(27-16)28-7-5-15(31-3)20(21,22)11-28/h4,6,8-9,12,15,30H,5,7,10-11H2,1-3H3,(H,23,24,26,27)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	249	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EGFR using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substrate measured afte...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498974 (CHEMBL3734988) Show SMILES C[C@@H](O)c1nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)[C@H](F)C3)cc2n1[C@H](C)C(F)(F)F |r| Show InChI InChI=1S/C20H23F4N7O2/c1-10(32)18-27-13-8-26-17(7-14(13)31(18)11(2)20(22,23)24)28-16-3-5-25-19(29-16)30-6-4-15(33)12(21)9-30/h3,5,7-8,10-12,15,32-33H,4,6,9H2,1-2H3,(H,25,26,28,29)/t10-,11-,12-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	313	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EGFR using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substrate measured afte...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498988 (CHEMBL3735157) Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(\C=C\C(C)(C)O)n3)cc12 Show InChI InChI=1S/C19H24N6O/c1-12(2)25-13(3)22-14-11-21-18(10-15(14)25)24-17-7-9-20-16(23-17)6-8-19(4,5)26/h6-12,26H,1-5H3,(H,20,21,23,24)/b8-6+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	323	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498991 (CHEMBL3735952) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3[nH]cnc3cn2)n1 Show InChI InChI=1S/C16H19N7O/c1-24-11-3-6-23(7-4-11)16-17-5-2-14(22-16)21-15-8-12-13(9-18-15)20-10-19-12/h2,5,8-11H,3-4,6-7H2,1H3,(H,19,20)(H,17,18,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	329	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498984 (CHEMBL3735689) Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(NCC(C)(C)C(N)=O)n3)cc12 Show InChI InChI=1S/C19H26N8O/c1-11(2)27-12(3)24-13-9-22-16(8-14(13)27)25-15-6-7-21-18(26-15)23-10-19(4,5)17(20)28/h6-9,11H,10H2,1-5H3,(H2,20,28)(H2,21,22,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EGFR using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substrate measured afte...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50499001 (CHEMBL3734877) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(CO)nc3cn2)n1 |@@:2| Show InChI InChI=1S/C20H27N7O2/c1-13(2)27-16-10-18(22-11-15(16)23-19(27)12-28)24-17-4-7-21-20(25-17)26-8-5-14(29-3)6-9-26/h4,7,10-11,13-14,28H,5-6,8-9,12H2,1-3H3,(H,21,22,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EGFR using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substrate measured afte...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50498985 (CHEMBL3734786) Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)C(F)(F)C3)cc12 |r| Show InChI InChI=1S/C19H23F2N7O/c1-11(2)28-12(3)24-13-9-23-17(8-14(13)28)25-16-4-6-22-18(26-16)27-7-5-15(29)19(20,21)10-27/h4,6,8-9,11,15,29H,5,7,10H2,1-3H3,(H,22,23,25,26)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>403	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EGFR using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substrate measured afte...				J Med Chem 58: 8877-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01412 BindingDB Entry DOI: 10.7270/Q2833W1G
					More data for this Ligand-Target Pair

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