Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50047897   

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))	BDBM50196094 (CHEMBL3960167) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(C)c12 |r| Show InChI InChI=1S/C27H34N6O2/c1-19-9-7-11-23-25(19)33(27(29-23)30-26(35)21-13-14-28-20(2)17-21)22-10-5-6-16-32(18-22)24(34)12-8-15-31(3)4/h7-9,11-14,17,22H,5-6,10,15-16,18H2,1-4H3,(H,29,30,35)/b12-8+/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of wild type EGFR phosphorylation in human HaCaT cells incubated for 3 hrs by ELISA method				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50196093 (CHEMBL3939913) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(c2)C(F)(F)F)nc2cccc(C)c12 |r| Show InChI InChI=1S/C27H31F3N6O2/c1-18-8-6-10-21-24(18)36(20-9-4-5-15-35(17-20)23(37)11-7-14-34(2)3)26(32-21)33-25(38)19-12-13-31-22(16-19)27(28,29)30/h6-8,10-13,16,20H,4-5,9,14-15,17H2,1-3H3,(H,32,33,38)/b11-7+/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of wild type EGFR phosphorylation in human HaCaT cells incubated for 3 hrs by ELISA method				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					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	74	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of wild type EGFR phosphorylation in human HaCaT cells incubated for 3 hrs by ELISA method				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50160870 (CHEMBL3787344 | WO2022090481, Example nazartinib) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12 |r| Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of wild type EGFR phosphorylation in human HaCaT cells incubated for 3 hrs by ELISA method				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50196095 (CHEMBL3972316) Show SMILES Cc1cccc2nc(NC(=O)c3cccc(c3)C(F)(F)F)n([C@@H]3CCCCN(C3)C(=O)C=C)c12 |r| Show InChI InChI=1S/C25H25F3N4O2/c1-3-21(33)31-13-5-4-11-19(15-31)32-22-16(2)8-6-12-20(22)29-24(32)30-23(34)17-9-7-10-18(14-17)25(26,27)28/h3,6-10,12,14,19H,1,4-5,11,13,15H2,2H3,(H,29,30,34)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of wild type EGFR phosphorylation in human HaCaT cells incubated for 3 hrs by ELISA method				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM149404 (AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...) Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)	PDB MMDB 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	262	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of wild type EGFR phosphorylation in human HaCaT cells incubated for 3 hrs by ELISA method				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50196096 (CHEMBL3951434) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cccc(C)c12 |r| Show InChI InChI=1S/C28H32F3N5O2/c1-19-9-6-13-23-25(19)36(22-12-4-5-16-35(18-22)24(37)14-8-15-34(2)3)27(32-23)33-26(38)20-10-7-11-21(17-20)28(29,30)31/h6-11,13-14,17,22H,4-5,12,15-16,18H2,1-3H3,(H,32,33,38)/b14-8+/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	351	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of wild type EGFR phosphorylation in human HaCaT cells incubated for 3 hrs by ELISA method				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50196095 (CHEMBL3972316) Show SMILES Cc1cccc2nc(NC(=O)c3cccc(c3)C(F)(F)F)n([C@@H]3CCCCN(C3)C(=O)C=C)c12 |r| Show InChI InChI=1S/C25H25F3N4O2/c1-3-21(33)31-13-5-4-11-19(15-31)32-22-16(2)8-6-12-20(22)29-24(32)30-23(34)17-9-7-10-18(14-17)25(26,27)28/h3,6-10,12,14,19H,1,4-5,11,13,15H2,2H3,(H,29,30,34)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50196095 (CHEMBL3972316) Show SMILES Cc1cccc2nc(NC(=O)c3cccc(c3)C(F)(F)F)n([C@@H]3CCCCN(C3)C(=O)C=C)c12 |r| Show InChI InChI=1S/C25H25F3N4O2/c1-3-21(33)31-13-5-4-11-19(15-31)32-22-16(2)8-6-12-20(22)29-24(32)30-23(34)17-9-7-10-18(14-17)25(26,27)28/h3,6-10,12,14,19H,1,4-5,11,13,15H2,2H3,(H,29,30,34)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50196101 (CHEMBL3901943) Show SMILES Cc1ccc2n(C3CCCCN(C3)C(=O)C=C)c(NC(=O)c3cccc(c3)C(F)(F)F)nc2c1 Show InChI InChI=1S/C25H25F3N4O2/c1-3-22(33)31-12-5-4-9-19(15-31)32-21-11-10-16(2)13-20(21)29-24(32)30-23(34)17-7-6-8-18(14-17)25(26,27)28/h3,6-8,10-11,13-14,19H,1,4-5,9,12,15H2,2H3,(H,29,30,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of wild type EGFR phosphorylation in human HaCaT cells incubated for 3 hrs by ELISA method				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50196237 (CHEMBL3937373) Show SMILES Cc1cccc2nc(NC(=O)c3cccc(c3)C(F)(F)F)n([C@H]3CC[C@H](O)CC3)c12 |r,wU:22.22,wD:25.26,(26.54,-21.82,;26.54,-20.28,;25.2,-19.51,;25.2,-17.97,;26.53,-17.2,;27.87,-17.96,;29.34,-17.48,;30.26,-18.73,;31.8,-18.73,;32.57,-17.4,;31.79,-16.07,;34.1,-17.4,;34.87,-16.07,;36.4,-16.06,;37.18,-17.4,;36.41,-18.74,;34.87,-18.74,;37.18,-20.07,;36.41,-21.4,;38.72,-20.07,;37.94,-21.4,;29.34,-19.99,;29.83,-21.46,;31.33,-21.77,;31.8,-23.24,;30.77,-24.39,;31.24,-25.85,;29.26,-24.06,;28.79,-22.6,;27.87,-19.51,)| Show InChI InChI=1S/C22H22F3N3O2/c1-13-4-2-7-18-19(13)28(16-8-10-17(29)11-9-16)21(26-18)27-20(30)14-5-3-6-15(12-14)22(23,24)25/h2-7,12,16-17,29H,8-11H2,1H3,(H,26,27,30)/t16-,17-	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	5.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-HIS-tagged wild type human recombinant EGFR (696 to 1022 residues) expressed in Sf9 cells pre-incubated for 90 mins follo...				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50196093 (CHEMBL3939913) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(c2)C(F)(F)F)nc2cccc(C)c12 |r| Show InChI InChI=1S/C27H31F3N6O2/c1-18-8-6-10-21-24(18)36(20-9-4-5-15-35(17-20)23(37)11-7-14-34(2)3)26(32-21)33-25(38)19-12-13-31-22(16-19)27(28,29)30/h6-8,10-13,16,20H,4-5,9,14-15,17H2,1-3H3,(H,32,33,38)/b11-7+/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50160870 (CHEMBL3787344 | WO2022090481, Example nazartinib) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12 |r| Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50196103 (CHEMBL3959632) Show SMILES Cc1ccc2n(c(NC(=O)c3cccc(c3)C(F)(F)F)nc2c1)-c1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C25H19F3N4O2/c1-3-22(33)29-18-8-5-9-19(14-18)32-21-11-10-15(2)12-20(21)30-24(32)31-23(34)16-6-4-7-17(13-16)25(26,27)28/h3-14H,1H2,2H3,(H,29,33)(H,30,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of wild type EGFR phosphorylation in human HaCaT cells incubated for 3 hrs by ELISA method				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50196102 (CHEMBL3953221) Show SMILES Cc1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)C=C)c(NC(=O)c3cccc(c3)C(F)(F)F)nc2c1 |r| Show InChI InChI=1S/C25H25F3N4O2/c1-3-22(33)29-18-8-5-9-19(14-18)32-21-11-10-15(2)12-20(21)30-24(32)31-23(34)16-6-4-7-17(13-16)25(26,27)28/h3-4,6-7,10-13,18-19H,1,5,8-9,14H2,2H3,(H,29,33)(H,30,31,34)/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of wild type human EGFR phosphorylation expressed in mouse NIH/3T3 cells incubated for 3 hrs by ELISA method				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50196099 (CHEMBL3961202) Show SMILES CN(C(=O)C=C)c1cccc(c1)-n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(C)ccc12 Show InChI InChI=1S/C26H21F3N4O2/c1-4-23(34)32(3)19-9-6-10-20(15-19)33-22-12-11-16(2)13-21(22)30-25(33)31-24(35)17-7-5-8-18(14-17)26(27,28)29/h4-15H,1H2,2-3H3,(H,30,31,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of wild type EGFR phosphorylation in human HaCaT cells incubated for 3 hrs by ELISA method				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50196098 (CHEMBL3973973) Show SMILES Cc1ccc2n([C@@H]3CCC[C@H](C3)NC(=O)C=C)c(NC(=O)c3cccc(c3)C(F)(F)F)nc2c1 |r| Show InChI InChI=1S/C25H25F3N4O2/c1-3-22(33)29-18-8-5-9-19(14-18)32-21-11-10-15(2)12-20(21)30-24(32)31-23(34)16-6-4-7-17(13-16)25(26,27)28/h3-4,6-7,10-13,18-19H,1,5,8-9,14H2,2H3,(H,29,33)(H,30,31,34)/t18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of wild type human EGFR phosphorylation expressed in mouse NIH/3T3 cells incubated for 3 hrs by ELISA method				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50196097 (CHEMBL3966111) Show SMILES Cc1ccc2n(CCCNC(=O)C=C)c(NC(=O)c3cccc(c3)C(F)(F)F)nc2c1 Show InChI InChI=1S/C22H21F3N4O2/c1-3-19(30)26-10-5-11-29-18-9-8-14(2)12-17(18)27-21(29)28-20(31)15-6-4-7-16(13-15)22(23,24)25/h3-4,6-9,12-13H,1,5,10-11H2,2H3,(H,26,30)(H,27,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of wild type EGFR phosphorylation in human HaCaT cells incubated for 3 hrs by ELISA method				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50196100 (CHEMBL3953921) Show SMILES Cc1ccc2n(C3CCCN(C3)C(=O)C=C)c(NC(=O)c3cccc(c3)C(F)(F)F)nc2c1 Show InChI InChI=1S/C24H23F3N4O2/c1-3-21(32)30-11-5-8-18(14-30)31-20-10-9-15(2)12-19(20)28-23(31)29-22(33)16-6-4-7-17(13-16)24(25,26)27/h3-4,6-7,9-10,12-13,18H,1,5,8,11,14H2,2H3,(H,28,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of wild type EGFR phosphorylation in human HaCaT cells incubated for 3 hrs by ELISA method				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50196144 (CHEMBL3946259) Show SMILES Cc1ccc2n([C@H]3CC[C@H](O)CC3)c(NC(=O)c3cccc(c3)C(F)(F)F)nc2c1 |r,wU:6.5,wD:9.9,(4.39,-32.64,;5.72,-33.41,;5.72,-34.95,;7.05,-35.72,;8.39,-34.95,;9.86,-35.43,;10.35,-36.89,;11.85,-37.21,;12.32,-38.68,;11.29,-39.83,;11.76,-41.29,;9.78,-39.5,;9.31,-38.04,;10.77,-34.17,;12.31,-34.17,;13.08,-32.84,;12.31,-31.51,;14.62,-32.84,;15.38,-31.51,;16.92,-31.5,;17.7,-32.84,;16.93,-34.18,;15.39,-34.18,;17.7,-35.51,;16.93,-36.84,;19.24,-35.51,;18.46,-36.84,;9.86,-32.92,;8.39,-33.4,;7.05,-32.63,)| Show InChI InChI=1S/C22H22F3N3O2/c1-13-5-10-19-18(11-13)26-21(28(19)16-6-8-17(29)9-7-16)27-20(30)14-3-2-4-15(12-14)22(23,24)25/h2-5,10-12,16-17,29H,6-9H2,1H3,(H,26,27,30)/t16-,17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-HIS-tagged wild type human recombinant EGFR (696 to 1022 residues) expressed in Sf9 cells pre-incubated for 90 mins follo...				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50196096 (CHEMBL3951434) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cccc(C)c12 |r| Show InChI InChI=1S/C28H32F3N5O2/c1-19-9-6-13-23-25(19)36(22-12-4-5-16-35(18-22)24(37)14-8-15-34(2)3)27(32-23)33-26(38)20-10-7-11-21(17-20)28(29,30)31/h6-11,13-14,17,22H,4-5,12,15-16,18H2,1-3H3,(H,32,33,38)/b14-8+/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50196096 (CHEMBL3951434) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cccc(C)c12 |r| Show InChI InChI=1S/C28H32F3N5O2/c1-19-9-6-13-23-25(19)36(22-12-4-5-16-35(18-22)24(37)14-8-15-34(2)3)27(32-23)33-26(38)20-10-7-11-21(17-20)28(29,30)31/h6-11,13-14,17,22H,4-5,12,15-16,18H2,1-3H3,(H,32,33,38)/b14-8+/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50196096 (CHEMBL3951434) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cccc(C)c12 |r| Show InChI InChI=1S/C28H32F3N5O2/c1-19-9-6-13-23-25(19)36(22-12-4-5-16-35(18-22)24(37)14-8-15-34(2)3)27(32-23)33-26(38)20-10-7-11-21(17-20)28(29,30)31/h6-11,13-14,17,22H,4-5,12,15-16,18H2,1-3H3,(H,32,33,38)/b14-8+/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50160870 (CHEMBL3787344 | WO2022090481, Example nazartinib) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12 |r| Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50160870 (CHEMBL3787344 | WO2022090481, Example nazartinib) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12 |r| Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50196094 (CHEMBL3960167) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(C)c12 |r| Show InChI InChI=1S/C27H34N6O2/c1-19-9-7-11-23-25(19)33(27(29-23)30-26(35)21-13-14-28-20(2)17-21)22-10-5-6-16-32(18-22)24(34)12-8-15-31(3)4/h7-9,11-14,17,22H,5-6,10,15-16,18H2,1-4H3,(H,29,30,35)/b12-8+/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50196093 (CHEMBL3939913) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(c2)C(F)(F)F)nc2cccc(C)c12 |r| Show InChI InChI=1S/C27H31F3N6O2/c1-18-8-6-10-21-24(18)36(20-9-4-5-15-35(17-20)23(37)11-7-14-34(2)3)26(32-21)33-25(38)19-12-13-31-22(16-19)27(28,29)30/h6-8,10-13,16,20H,4-5,9,14-15,17H2,1-3H3,(H,32,33,38)/b11-7+/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50196095 (CHEMBL3972316) Show SMILES Cc1cccc2nc(NC(=O)c3cccc(c3)C(F)(F)F)n([C@@H]3CCCCN(C3)C(=O)C=C)c12 |r| Show InChI InChI=1S/C25H25F3N4O2/c1-3-21(33)31-13-5-4-11-19(15-31)32-22-16(2)8-6-12-20(22)29-24(32)30-23(34)17-9-7-10-18(14-17)25(26,27)28/h3,6-10,12,14,19H,1,4-5,11,13,15H2,2H3,(H,29,30,34)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50196093 (CHEMBL3939913) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(c2)C(F)(F)F)nc2cccc(C)c12 |r| Show InChI InChI=1S/C27H31F3N6O2/c1-18-8-6-10-21-24(18)36(20-9-4-5-15-35(17-20)23(37)11-7-14-34(2)3)26(32-21)33-25(38)19-12-13-31-22(16-19)27(28,29)30/h6-8,10-13,16,20H,4-5,9,14-15,17H2,1-3H3,(H,32,33,38)/b11-7+/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50196094 (CHEMBL3960167) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(C)c12 |r| Show InChI InChI=1S/C27H34N6O2/c1-19-9-7-11-23-25(19)33(27(29-23)30-26(35)21-13-14-28-20(2)17-21)22-10-5-6-16-32(18-22)24(34)12-8-15-31(3)4/h7-9,11-14,17,22H,5-6,10,15-16,18H2,1-4H3,(H,29,30,35)/b12-8+/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50196094 (CHEMBL3960167) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(C)c12 |r| Show InChI InChI=1S/C27H34N6O2/c1-19-9-7-11-23-25(19)33(27(29-23)30-26(35)21-13-14-28-20(2)17-21)22-10-5-6-16-32(18-22)24(34)12-8-15-31(3)4/h7-9,11-14,17,22H,5-6,10,15-16,18H2,1-4H3,(H,29,30,35)/b12-8+/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50196104 (CHEMBL3965075) Show SMILES CCOCc1ccc2n([C@H]3CC[C@H](O)CC3)c(NC(=O)c3cccc(c3)C(F)(F)F)nc2c1 |r,wU:9.8,wD:12.12,(41.12,-23.18,;42.45,-22.41,;43.79,-23.18,;45.12,-22.41,;46.45,-23.18,;46.45,-24.72,;47.79,-25.49,;49.12,-24.72,;50.59,-25.2,;51.07,-26.67,;52.58,-26.98,;53.05,-28.45,;52.01,-29.59,;52.48,-31.06,;50.51,-29.26,;50.04,-27.81,;51.51,-23.95,;53.05,-23.95,;53.82,-22.61,;53.04,-21.28,;55.36,-22.61,;56.12,-21.28,;57.65,-21.28,;58.43,-22.61,;57.66,-23.95,;56.12,-23.95,;58.43,-25.28,;57.66,-26.62,;59.97,-25.28,;59.19,-26.61,;50.59,-22.69,;49.12,-23.17,;47.78,-22.41,)| Show InChI InChI=1S/C24H26F3N3O3/c1-2-33-14-15-6-11-21-20(12-15)28-23(30(21)18-7-9-19(31)10-8-18)29-22(32)16-4-3-5-17(13-16)24(25,26)27/h3-6,11-13,18-19,31H,2,7-10,14H2,1H3,(H,28,29,32)/t18-,19-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-HIS-tagged wild type human recombinant EGFR (696 to 1022 residues) expressed in Sf9 cells pre-incubated for 90 mins follo...				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50196105 (CHEMBL3954370) Show SMILES O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2ccccc12 |r,wU:4.7,wD:1.0,(10,-12.73,;9.53,-11.27,;10.56,-10.12,;10.09,-8.65,;8.59,-8.33,;7.55,-9.48,;8.02,-10.94,;8.1,-6.87,;9.02,-5.61,;10.56,-5.61,;11.32,-4.28,;10.55,-2.95,;12.86,-4.28,;13.63,-2.95,;15.16,-2.94,;15.94,-4.28,;15.17,-5.62,;13.63,-5.62,;15.94,-6.95,;15.17,-8.28,;17.48,-6.95,;16.7,-8.28,;8.1,-4.36,;6.63,-4.84,;5.29,-4.07,;3.96,-4.85,;3.96,-6.39,;5.3,-7.16,;6.63,-6.39,)| Show InChI InChI=1S/C21H20F3N3O2/c22-21(23,24)14-5-3-4-13(12-14)19(29)26-20-25-17-6-1-2-7-18(17)27(20)15-8-10-16(28)11-9-15/h1-7,12,15-16,28H,8-11H2,(H,25,26,29)/t15-,16-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-HIS-tagged wild type human recombinant EGFR (696 to 1022 residues) expressed in Sf9 cells pre-incubated for 90 mins follo...				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50196238 (CHEMBL3918367) Show SMILES Cc1cccc2n([C@H]3CC[C@H](O)CC3)c(NC(=O)c3cccc(c3)C(F)(F)F)nc12 |r,wU:7.6,wD:10.10,(6.29,-16,;6.3,-17.54,;4.97,-18.31,;4.96,-19.85,;6.3,-20.62,;7.63,-19.85,;9.11,-20.33,;9.59,-21.8,;11.1,-22.11,;11.57,-23.58,;10.53,-24.73,;11,-26.19,;9.03,-24.4,;8.56,-22.94,;10.02,-19.08,;11.56,-19.08,;12.33,-17.74,;11.56,-16.41,;13.87,-17.74,;14.63,-16.41,;16.16,-16.41,;16.94,-17.74,;16.17,-19.08,;14.63,-19.08,;16.94,-20.41,;16.17,-21.75,;18.48,-20.41,;17.7,-21.74,;9.11,-17.82,;7.63,-18.3,)| Show InChI InChI=1S/C22H22F3N3O2/c1-13-4-2-7-18-19(13)26-21(28(18)16-8-10-17(29)11-9-16)27-20(30)14-5-3-6-15(12-14)22(23,24)25/h2-7,12,16-17,29H,8-11H2,1H3,(H,26,27,30)/t16-,17-	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-HIS-tagged wild type human recombinant EGFR (696 to 1022 residues) expressed in Sf9 cells pre-incubated for 90 mins follo...				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50196236 (CHEMBL3909438) Show SMILES Cc1ccc2nc(NC(=O)c3cccc(c3)C(F)(F)F)n([C@H]3CC[C@H](O)CC3)c2c1 |r,wU:21.21,wD:24.25,(22.71,-6.82,;24.04,-6.05,;24.05,-4.5,;25.37,-3.73,;26.71,-4.5,;28.18,-4.02,;29.1,-5.27,;30.64,-5.27,;31.41,-3.94,;30.64,-2.6,;32.95,-3.94,;33.71,-2.61,;35.24,-2.6,;36.02,-3.94,;35.25,-5.27,;33.71,-5.27,;36.02,-6.61,;35.25,-7.94,;37.56,-6.61,;36.78,-7.93,;28.19,-6.53,;28.67,-7.99,;30.17,-8.31,;30.65,-9.78,;29.61,-10.92,;30.08,-12.39,;28.11,-10.6,;27.64,-9.14,;26.71,-6.05,;25.38,-6.82,)| Show InChI InChI=1S/C22H22F3N3O2/c1-13-5-10-18-19(11-13)28(16-6-8-17(29)9-7-16)21(26-18)27-20(30)14-3-2-4-15(12-14)22(23,24)25/h2-5,10-12,16-17,29H,6-9H2,1H3,(H,26,27,30)/t16-,17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-HIS-tagged wild type human recombinant EGFR (696 to 1022 residues) expressed in Sf9 cells pre-incubated for 90 mins follo...				J Med Chem 59: 6671-89 (2016) Article DOI: 10.1021/acs.jmedchem.5b01985 BindingDB Entry DOI: 10.7270/Q2RF5X00
					More data for this Ligand-Target Pair