Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'juchum' and Initial = 'm'   

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))	BDBM50238182 (CHEMBL4100860) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(CCCO)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C27H26FN5O3/c1-3-25(35)30-20-10-11-22(36-2)21(16-20)31-24-15-18(12-13-29-24)27-26(17-6-8-19(28)9-7-17)32-23(33-27)5-4-14-34/h3,6-13,15-16,34H,1,4-5,14H2,2H3,(H,29,31)(H,30,35)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of binding of [3H][D-Ala2,D-Leu5]enkephalin to Opioid receptor delta 1 in the rat brain homogenate				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238177 (CHEMBL4098072) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C25H22FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h4-14H,1H2,2-3H3,(H,27,29)(H,28,32)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin incubated ...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238183 (CHEMBL4071012) Show SMILES Fc1ccc(cc1)-c1nc(SCCNC(=O)C=C)[nH]c1-c1ccnc(Nc2ccccc2)c1 Show InChI InChI=1S/C25H22FN5OS/c1-2-22(32)28-14-15-33-25-30-23(17-8-10-19(26)11-9-17)24(31-25)18-12-13-27-21(16-18)29-20-6-4-3-5-7-20/h2-13,16H,1,14-15H2,(H,27,29)(H,28,32)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin incubated ...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					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	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin incubated ...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50266911 (CHEMBL4061829) Show SMILES OCCc1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H19FN4O/c25-17-8-6-16(7-9-17)22-23(29-21(28-22)11-13-30)18-10-12-26-24-19(18)14-20(27-24)15-4-2-1-3-5-15/h1-10,12,14,30H,11,13H2,(H,26,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged wild type EGFR ( 668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system prein...				J Med Chem 60: 4636-4656 (2017) Article DOI: 10.1021/acs.jmedchem.7b00178 BindingDB Entry DOI: 10.7270/Q26T0Q47
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50266914 (CHEMBL4071827) Show SMILES OCCCc1nc(c([nH]1)-c1ccnc2[nH]cc(-c3cccc(NC(=O)C=C)c3)c12)-c1ccc(F)cc1 Show InChI InChI=1S/C28H24FN5O2/c1-2-24(36)32-20-6-3-5-18(15-20)22-16-31-28-25(22)21(12-13-30-28)27-26(17-8-10-19(29)11-9-17)33-23(34-27)7-4-14-35/h2-3,5-6,8-13,15-16,35H,1,4,7,14H2,(H,30,31)(H,32,36)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged wild type EGFR ( 668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system prein...				J Med Chem 60: 4636-4656 (2017) Article DOI: 10.1021/acs.jmedchem.7b00178 BindingDB Entry DOI: 10.7270/Q26T0Q47
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50266912 (CHEMBL4089892) Show SMILES OCCCCc1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H23FN4O/c27-19-11-9-18(10-12-19)24-25(31-23(30-24)8-4-5-15-32)20-13-14-28-26-21(20)16-22(29-26)17-6-2-1-3-7-17/h1-3,6-7,9-14,16,32H,4-5,8,15H2,(H,28,29)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged wild type EGFR ( 668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system prein...				J Med Chem 60: 4636-4656 (2017) Article DOI: 10.1021/acs.jmedchem.7b00178 BindingDB Entry DOI: 10.7270/Q26T0Q47
					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	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin)				J Med Chem 60: 4636-4656 (2017) Article DOI: 10.1021/acs.jmedchem.7b00178 BindingDB Entry DOI: 10.7270/Q26T0Q47
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50266907 (CHEMBL4101719) Show SMILES OCCCc1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H21FN4O/c26-18-10-8-17(9-11-18)23-24(30-22(29-23)7-4-14-31)19-12-13-27-25-20(19)15-21(28-25)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,31H,4,7,14H2,(H,27,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin)				J Med Chem 60: 4636-4656 (2017) Article DOI: 10.1021/acs.jmedchem.7b00178 BindingDB Entry DOI: 10.7270/Q26T0Q47
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50266932 (CHEMBL4082764) Show SMILES NCc1cccc(c1)-c1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H22FN5/c30-22-11-9-20(10-12-22)26-27(35-28(34-26)21-8-4-5-18(15-21)17-31)23-13-14-32-29-24(23)16-25(33-29)19-6-2-1-3-7-19/h1-16H,17,31H2,(H,32,33)(H,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin)				J Med Chem 60: 4636-4656 (2017) Article DOI: 10.1021/acs.jmedchem.7b00178 BindingDB Entry DOI: 10.7270/Q26T0Q47
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238160 (CHEMBL4087268) Show SMILES CSc1nc(c([nH]1)-c1ccnc(Nc2cccc(NC(=O)C=C)c2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H20FN5OS/c1-3-21(31)28-19-6-4-5-18(14-19)27-20-13-16(11-12-26-20)23-22(29-24(30-23)32-2)15-7-9-17(25)10-8-15/h3-14H,1H2,2H3,(H,26,27)(H,28,31)(H,29,30)	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	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238165 (CHEMBL4060003) Show SMILES CSc1nc(c([nH]1)-c1ccnc(Nc2cc(NC(=O)C=C)cc(c2)N2CCOCC2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H27FN6O2S/c1-3-25(36)32-22-15-21(16-23(17-22)35-10-12-37-13-11-35)31-24-14-19(8-9-30-24)27-26(33-28(34-27)38-2)18-4-6-20(29)7-5-18/h3-9,14-17H,1,10-13H2,2H3,(H,30,31)(H,32,36)(H,33,34)	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	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238182 (CHEMBL4100860) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(CCCO)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C27H26FN5O3/c1-3-25(35)30-20-10-11-22(36-2)21(16-20)31-24-15-18(12-13-29-24)27-26(17-6-8-19(28)9-7-17)32-23(33-27)5-4-14-34/h3,6-13,15-16,34H,1,4-5,14H2,2H3,(H,29,31)(H,30,35)(H,32,33)	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	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238193 (CHEMBL4096980) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C29H25N5O2S/c1-4-26(35)31-22-11-12-24(36-2)23(17-22)32-25-16-21(13-14-30-25)28-27(33-29(34-28)37-3)20-10-9-18-7-5-6-8-19(18)15-20/h4-17H,1H2,2-3H3,(H,30,32)(H,31,35)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238157 (CHEMBL4100777) Show SMILES CSc1nc(c([nH]1)-c1ccnc(Nc2cccc(NC(=O)C=C)n2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H19FN6OS/c1-3-20(31)28-18-6-4-5-17(26-18)27-19-13-15(11-12-25-19)22-21(29-23(30-22)32-2)14-7-9-16(24)10-8-14/h3-13H,1H2,2H3,(H,29,30)(H2,25,26,27,28,31)	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	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238181 (CHEMBL4071368) Show SMILES CSc1nc(c([nH]1)-c1ccnc(Nc2cc(NC(=O)C=C)cc(c2)N2CCN(C)CC2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H30FN7OS/c1-4-26(38)33-23-16-22(17-24(18-23)37-13-11-36(2)12-14-37)32-25-15-20(9-10-31-25)28-27(34-29(35-28)39-3)19-5-7-21(30)8-6-19/h4-10,15-18H,1,11-14H2,2-3H3,(H,31,32)(H,33,38)(H,34,35)	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	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238177 (CHEMBL4098072) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C25H22FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h4-14H,1H2,2-3H3,(H,27,29)(H,28,32)(H,30,31)	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	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238191 (CHEMBL4090686) Show SMILES CCC(=O)Nc1ccc(OC)c(Nc2cc(ccn2)-c2[nH]c(CCCO)nc2-c2ccc(F)cc2)c1 Show InChI InChI=1S/C27H28FN5O3/c1-3-25(35)30-20-10-11-22(36-2)21(16-20)31-24-15-18(12-13-29-24)27-26(17-6-8-19(28)9-7-17)32-23(33-27)5-4-14-34/h6-13,15-16,34H,3-5,14H2,1-2H3,(H,29,31)(H,30,35)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238186 (CHEMBL4082362) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1C1CCCC1 Show InChI InChI=1S/C24H27N5O2S/c1-4-21(30)26-17-9-10-19(31-2)18(14-17)27-20-13-16(11-12-25-20)23-22(15-7-5-6-8-15)28-24(29-23)32-3/h4,9-15H,1,5-8H2,2-3H3,(H,25,27)(H,26,30)(H,28,29)	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	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238185 (CHEMBL4094927) Show SMILES CCC(=O)Nc1ccc(OC)c(Nc2cc(ccn2)-c2[nH]c(SC)nc2-c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H24FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h5-14H,4H2,1-3H3,(H,27,29)(H,28,32)(H,30,31)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of [3H]naloxone binding to Opioid receptor mu 1 in rat brain homogenate				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238162 (CHEMBL4100377) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1C1CCC1 Show InChI InChI=1S/C23H25N5O2S/c1-4-20(29)25-16-8-9-18(30-2)17(13-16)26-19-12-15(10-11-24-19)22-21(14-6-5-7-14)27-23(28-22)31-3/h4,8-14H,1,5-7H2,2-3H3,(H,24,26)(H,25,29)(H,27,28)	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	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238172 (CHEMBL4079393) Show SMILES CCC(=O)NCCSc1nc(c([nH]1)-c1ccnc(Nc2cccc(NC(=O)C=C)c2)c1)-c1ccccc1 Show InChI InChI=1S/C28H28N6O2S/c1-3-24(35)30-15-16-37-28-33-26(19-9-6-5-7-10-19)27(34-28)20-13-14-29-23(17-20)31-21-11-8-12-22(18-21)32-25(36)4-2/h4-14,17-18H,2-3,15-16H2,1H3,(H,29,31)(H,30,35)(H,32,36)(H,33,34)	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	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238173 (CHEMBL4078963) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1cccs1 Show InChI InChI=1S/C23H21N5O2S2/c1-4-20(29)25-15-7-8-17(30-2)16(13-15)26-19-12-14(9-10-24-19)21-22(18-6-5-11-32-18)28-23(27-21)31-3/h4-13H,1H2,2-3H3,(H,24,26)(H,25,29)(H,27,28)	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	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50266909 (CHEMBL4070454) Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C28H20N4O/c33-21-13-11-20(12-14-21)27-31-25(19-9-5-2-6-10-19)26(32-27)22-15-16-29-28-23(22)17-24(30-28)18-7-3-1-4-8-18/h1-17,33H,(H,29,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of p38alpha MAPK (unknown origin) assessed as decrease in ATF2 phosphorylation at Thr69/71 at 1 uM after 1 hr by ELISA				J Med Chem 60: 4636-4656 (2017) Article DOI: 10.1021/acs.jmedchem.7b00178 BindingDB Entry DOI: 10.7270/Q26T0Q47
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50383274 (CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin)				J Med Chem 60: 4636-4656 (2017) Article DOI: 10.1021/acs.jmedchem.7b00178 BindingDB Entry DOI: 10.7270/Q26T0Q47
					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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238183 (CHEMBL4071012) Show SMILES Fc1ccc(cc1)-c1nc(SCCNC(=O)C=C)[nH]c1-c1ccnc(Nc2ccccc2)c1 Show InChI InChI=1S/C25H22FN5OS/c1-2-22(32)28-14-15-33-25-30-23(17-8-10-19(26)11-9-17)24(31-25)18-12-13-27-21(16-18)29-20-6-4-3-5-7-20/h2-13,16H,1,14-15H2,(H,27,29)(H,28,32)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of binding of [3H]naloxone to Opioid receptor mu 1 in the rat brain homogenate				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50266912 (CHEMBL4089892) Show SMILES OCCCCc1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H23FN4O/c27-19-11-9-18(10-12-19)24-25(31-23(30-24)8-4-5-15-32)20-13-14-28-26-21(20)16-22(29-26)17-6-2-1-3-7-17/h1-3,6-7,9-14,16,32H,4-5,8,15H2,(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of p38alpha MAPK (unknown origin) assessed as decrease in ATF2 phosphorylation at Thr69/71 at 1 uM after 1 hr by ELISA				J Med Chem 60: 4636-4656 (2017) Article DOI: 10.1021/acs.jmedchem.7b00178 BindingDB Entry DOI: 10.7270/Q26T0Q47
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50266907 (CHEMBL4101719) Show SMILES OCCCc1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H21FN4O/c26-18-10-8-17(9-11-18)23-24(30-22(29-23)7-4-14-31)19-12-13-27-25-20(19)15-21(28-25)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,31H,4,7,14H2,(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of p38alpha MAPK (unknown origin) assessed as decrease in ATF2 phosphorylation at Thr69/71 at 1 uM after 1 hr by ELISA				J Med Chem 60: 4636-4656 (2017) Article DOI: 10.1021/acs.jmedchem.7b00178 BindingDB Entry DOI: 10.7270/Q26T0Q47
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238174 (CHEMBL4098412) Show SMILES CSc1nc(c([nH]1)-c1ccnc(Nc2cc(cc(c2)[N+]([O-])=O)N2CCN(C)CC2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H26FN7O2S/c1-32-9-11-33(12-10-32)21-14-20(15-22(16-21)34(35)36)29-23-13-18(7-8-28-23)25-24(30-26(31-25)37-2)17-3-5-19(27)6-4-17/h3-8,13-16H,9-12H2,1-2H3,(H,28,29)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238159 (CHEMBL4105526) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1C1CC1 Show InChI InChI=1S/C22H23N5O2S/c1-4-19(28)24-15-7-8-17(29-2)16(12-15)25-18-11-14(9-10-23-18)21-20(13-5-6-13)26-22(27-21)30-3/h4,7-13H,1,5-6H2,2-3H3,(H,23,25)(H,24,28)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238192 (CHEMBL4071180) Show SMILES CN(C)C\C=C\C(=O)NCCSc1nc(c([nH]1)-c1ccnc(Nc2ccccc2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H29FN6OS/c1-35(2)17-6-9-25(36)31-16-18-37-28-33-26(20-10-12-22(29)13-11-20)27(34-28)21-14-15-30-24(19-21)32-23-7-4-3-5-8-23/h3-15,19H,16-18H2,1-2H3,(H,30,32)(H,31,36)(H,33,34)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50266911 (CHEMBL4061829) Show SMILES OCCc1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H19FN4O/c25-17-8-6-16(7-9-17)22-23(29-21(28-22)11-13-30)18-10-12-26-24-19(18)14-20(27-24)15-4-2-1-3-5-15/h1-10,12,14,30H,11,13H2,(H,26,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of p38alpha MAPK (unknown origin) assessed as decrease in ATF2 phosphorylation at Thr69/71 at 1 uM after 1 hr by ELISA				J Med Chem 60: 4636-4656 (2017) Article DOI: 10.1021/acs.jmedchem.7b00178 BindingDB Entry DOI: 10.7270/Q26T0Q47
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238168 (CHEMBL4081860) Show SMILES NCCSc1nc(c([nH]1)-c1ccnc(Nc2ccccc2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H20FN5S/c23-17-8-6-15(7-9-17)20-21(28-22(27-20)29-13-11-24)16-10-12-25-19(14-16)26-18-4-2-1-3-5-18/h1-10,12,14H,11,13,24H2,(H,25,26)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50266930 (CHEMBL4090582) Show SMILES CN(C)C\C=C\C(=O)NCc1cccc(c1)-c1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C35H31FN6O/c1-42(2)19-7-12-31(43)38-22-23-8-6-11-26(20-23)34-40-32(25-13-15-27(36)16-14-25)33(41-34)28-17-18-37-35-29(28)21-30(39-35)24-9-4-3-5-10-24/h3-18,20-21H,19,22H2,1-2H3,(H,37,39)(H,38,43)(H,40,41)/b12-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged wild type EGFR ( 668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system prein...				J Med Chem 60: 4636-4656 (2017) Article DOI: 10.1021/acs.jmedchem.7b00178 BindingDB Entry DOI: 10.7270/Q26T0Q47
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50266910 (CHEMBL4097627) Show SMILES Oc1cccc(c1)-c1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H19FN4O/c29-20-11-9-18(10-12-20)25-26(33-27(32-25)19-7-4-8-21(34)15-19)22-13-14-30-28-23(22)16-24(31-28)17-5-2-1-3-6-17/h1-16,34H,(H,30,31)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of p38alpha MAPK (unknown origin) assessed as decrease in ATF2 phosphorylation at Thr69/71 at 1 uM after 1 hr by ELISA				J Med Chem 60: 4636-4656 (2017) Article DOI: 10.1021/acs.jmedchem.7b00178 BindingDB Entry DOI: 10.7270/Q26T0Q47
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238170 (CHEMBL4064942) Show SMILES CN(C)C(=O)CSc1nc(c([nH]1)-c1ccnc(Nc2ccccc2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H22FN5OS/c1-30(2)21(31)15-32-24-28-22(16-8-10-18(25)11-9-16)23(29-24)17-12-13-26-20(14-17)27-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,26,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238176 (CHEMBL4091569) Show SMILES OCCSc1nc(c([nH]1)-c1ccnc(Nc2ccccc2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H19FN4OS/c23-17-8-6-15(7-9-17)20-21(27-22(26-20)29-13-12-28)16-10-11-24-19(14-16)25-18-4-2-1-3-5-18/h1-11,14,28H,12-13H2,(H,24,25)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of [3H]naloxone binding to Opioid receptor mu 1 in rat brain homogenate				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50266935 (CHEMBL4072874) Show SMILES Fc1ccc(cc1)-c1nc([nH]c1-c1ccnc2[nH]cc(-c3cccc(NC(=O)C=C)c3)c12)-c1ccccc1 Show InChI InChI=1S/C31H22FN5O/c1-2-26(38)35-23-10-6-9-21(17-23)25-18-34-31-27(25)24(15-16-33-31)29-28(19-11-13-22(32)14-12-19)36-30(37-29)20-7-4-3-5-8-20/h2-18H,1H2,(H,33,34)(H,35,38)(H,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged wild type EGFR ( 668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system prein...				J Med Chem 60: 4636-4656 (2017) Article DOI: 10.1021/acs.jmedchem.7b00178 BindingDB Entry DOI: 10.7270/Q26T0Q47
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50383274 (CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of binding of [3H][D-Ala2,D-Leu5]enkephalin to Opioid receptor delta 1 in the rat brain homogenate				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50266913 (CHEMBL4088971) Show SMILES OCCCc1nc(c([nH]1)-c1ccnc2[nH]ccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN4O/c20-13-5-3-12(4-6-13)17-18(24-16(23-17)2-1-11-25)14-7-9-21-19-15(14)8-10-22-19/h3-10,25H,1-2,11H2,(H,21,22)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of p38alpha MAPK (unknown origin) assessed as decrease in ATF2 phosphorylation at Thr69/71 at 1 uM after 1 hr by ELISA				J Med Chem 60: 4636-4656 (2017) Article DOI: 10.1021/acs.jmedchem.7b00178 BindingDB Entry DOI: 10.7270/Q26T0Q47
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238169 (CHEMBL4062543) Show SMILES C=CC(=O)NCCSc1nc(c([nH]1)-c1ccnc(Nc2ccccc2)c1)-c1ccccc1 Show InChI InChI=1S/C25H23N5OS/c1-2-22(31)27-15-16-32-25-29-23(18-9-5-3-6-10-18)24(30-25)19-13-14-26-21(17-19)28-20-11-7-4-8-12-20/h2-14,17H,1,15-16H2,(H,26,28)(H,27,31)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50266909 (CHEMBL4070454) Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C28H20N4O/c33-21-13-11-20(12-14-21)27-31-25(19-9-5-2-6-10-19)26(32-27)22-15-16-29-28-23(22)17-24(30-28)18-7-3-1-4-8-18/h1-17,33H,(H,29,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged wild type EGFR ( 668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system prein...				J Med Chem 60: 4636-4656 (2017) Article DOI: 10.1021/acs.jmedchem.7b00178 BindingDB Entry DOI: 10.7270/Q26T0Q47
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238156 (CHEMBL4089279) Show SMILES CSc1nc(c([nH]1)-c1ccnc(Nc2cccc(CNC(=O)C=C)c2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H22FN5OS/c1-3-22(32)28-15-16-5-4-6-20(13-16)29-21-14-18(11-12-27-21)24-23(30-25(31-24)33-2)17-7-9-19(26)10-8-17/h3-14H,1,15H2,2H3,(H,27,29)(H,28,32)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238161 (CHEMBL4089601) Show SMILES Fc1ccc(cc1)-c1nc(SCCCNC(=O)C=C)[nH]c1-c1ccnc(Nc2ccccc2)c1 Show InChI InChI=1S/C26H24FN5OS/c1-2-23(33)29-14-6-16-34-26-31-24(18-9-11-20(27)12-10-18)25(32-26)19-13-15-28-22(17-19)30-21-7-4-3-5-8-21/h2-5,7-13,15,17H,1,6,14,16H2,(H,28,30)(H,29,33)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238179 (CHEMBL4076854) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1cnc(SC)[nH]1 Show InChI InChI=1S/C19H19N5O2S/c1-4-18(25)22-13-5-6-16(26-2)14(10-13)23-17-9-12(7-8-20-17)15-11-21-19(24-15)27-3/h4-11H,1H2,2-3H3,(H,20,23)(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50266929 (CHEMBL4100759) Show SMILES Fc1ccc(cc1)-c1nc([nH]c1-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1cccc(CNC(=O)C=C)c1 Show InChI InChI=1S/C32H24FN5O/c1-2-28(39)35-19-20-7-6-10-23(17-20)31-37-29(22-11-13-24(33)14-12-22)30(38-31)25-15-16-34-32-26(25)18-27(36-32)21-8-4-3-5-9-21/h2-18H,1,19H2,(H,34,36)(H,35,39)(H,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged wild type EGFR ( 668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system prein...				J Med Chem 60: 4636-4656 (2017) Article DOI: 10.1021/acs.jmedchem.7b00178 BindingDB Entry DOI: 10.7270/Q26T0Q47
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238164 (CHEMBL4070707) Show SMILES Fc1ccc(cc1)-c1nc(SC[C@@H]2CCCN2C(=O)C=C)[nH]c1-c1ccnc(Nc2ccccc2)c1 |r| Show InChI InChI=1S/C28H26FN5OS/c1-2-25(35)34-16-6-9-23(34)18-36-28-32-26(19-10-12-21(29)13-11-19)27(33-28)20-14-15-30-24(17-20)31-22-7-4-3-5-8-22/h2-5,7-8,10-15,17,23H,1,6,9,16,18H2,(H,30,31)(H,32,33)/t23-/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	19	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair

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