Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'krawiec' 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
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50393079 (CHEMBL2152855 | US9040542, 23) Show SMILES CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)O |r| Show InChI InChI=1S/C21H25FN6O3/c1-4-23-20(29)28-19-26-13-8-12(11-9-24-18(25-10-11)21(2,3)30)16(22)15(17(13)27-19)14-6-5-7-31-14/h8-10,14,30H,4-7H2,1-3H3,(H3,23,26,27,28,29)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	9	n/a	n/a	n/a	n/a	n/a	n/a	7.6	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description The ATP hydrolysis activity of S. aureus DNA gyrase is measured by coupling the production of ADP through pyruvate kinase/lactate dehydrogenase to th...				US Patent US9040542 (2015) BindingDB Entry DOI: 10.7270/Q2F18XHX
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50393079 (CHEMBL2152855 | US9040542, 23) Show SMILES CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)O |r| Show InChI InChI=1S/C21H25FN6O3/c1-4-23-20(29)28-19-26-13-8-12(11-9-24-18(25-10-11)21(2,3)30)16(22)15(17(13)27-19)14-6-5-7-31-14/h8-10,14,30H,4-7H2,1-3H3,(H3,23,26,27,28,29)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description The conversion of ATP to ADP by S. aureus TopoIV enzyme is coupled to the conversion of NADH to NAD+, and the progress of the reaction is measured by...				US Patent US9040542 (2015) BindingDB Entry DOI: 10.7270/Q2F18XHX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50505841 (CHEMBL4532034 | US11174245, # I-018) Show SMILES COc1ccncc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)O Show InChI InChI=1S/C23H23N5O3/c1-23(2,30)14-28-19-7-5-4-6-17(19)26-22(28)27-21(29)15-8-11-25-18(12-15)16-13-24-10-9-20(16)31-3/h4-13,30H,14H2,1-3H3,(H,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of GST-fusion tagged EGFR L858R/T790M/C797S triple mutant (unknown origin) (696 to 1022 residues) expressed in insect cells assessed as de...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Mus musculus)	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of wild type EGFR in mouse BAF3 cells assessed as reduction in cell proliferation incubated for 72 hrs by Celltiter-Glo luminescent cell v...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Mus musculus)	BDBM50505838 (CHEMBL4537790) Show SMILES C[C@@H]1CCCOc2c(cnn2C)-c2cc(cc(C)n2)C(=O)\N=C2/Nc3ccc(CN4CCN(C)CC4)cc3N2C1 |r,c:23| Show InChI InChI=1S/C30H38N8O2/c1-20-6-5-13-40-29-24(17-31-36(29)4)26-16-23(14-21(2)32-26)28(39)34-30-33-25-8-7-22(15-27(25)38(30)18-20)19-37-11-9-35(3)10-12-37/h7-8,14-17,20H,5-6,9-13,18-19H2,1-4H3,(H,33,34,39)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of wild type EGFR in mouse BAF3 cells assessed as reduction in cell proliferation incubated for 72 hrs by Celltiter-Glo luminescent cell v...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50505836 (CHEMBL4434788 | US11174245, # I-064) Show SMILES CC(C)(O)Cn1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1ccccc1 Show InChI InChI=1S/C23H22N4O2/c1-23(2,29)15-27-20-11-7-6-10-18(20)25-22(27)26-21(28)17-12-13-24-19(14-17)16-8-4-3-5-9-16/h3-14,29H,15H2,1-2H3,(H,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	267	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of GST-fusion tagged EGFR L858R/T790M/C797S triple mutant (unknown origin) (696 to 1022 residues) expressed in insect cells assessed as de...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Mus musculus)	BDBM50505845 (CHEMBL4566193) Show SMILES Cn1ncc-2c1OCCCCCN1\C(Nc3ccccc13)=N\C(=O)c1cc(F)nc-2c1 |t:23| Show InChI InChI=1S/C22H21FN6O2/c1-28-21-15(13-24-28)17-11-14(12-19(23)25-17)20(30)27-22-26-16-7-3-4-8-18(16)29(22)9-5-2-6-10-31-21/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of wild type EGFR in mouse BAF3 cells assessed as reduction in cell proliferation incubated for 72 hrs by Celltiter-Glo luminescent cell v...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50505843 (CHEMBL4449589 | US11174245, # I-235) Show SMILES CC(C)(O)Cn1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1cccnc1 Show InChI InChI=1S/C22H21N5O2/c1-22(2,29)14-27-19-8-4-3-7-17(19)25-21(27)26-20(28)15-9-11-24-18(12-15)16-6-5-10-23-13-16/h3-13,29H,14H2,1-2H3,(H,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	353	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of GST-fusion tagged EGFR L858R/T790M/C797S triple mutant (unknown origin) (696 to 1022 residues) expressed in insect cells assessed as de...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50505839 (CHEMBL4525935 | US11174245, # I-001) Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)O Show InChI InChI=1S/C21H22N6O2/c1-21(2,29)13-27-18-7-5-4-6-16(18)24-20(27)25-19(28)14-8-9-22-17(10-14)15-11-23-26(3)12-15/h4-12,29H,13H2,1-3H3,(H,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	519	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of GST-fusion tagged EGFR L858R/T790M/C797S triple mutant (unknown origin) (696 to 1022 residues) expressed in insect cells assessed as de...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Mus musculus)	BDBM50505841 (CHEMBL4532034 | US11174245, # I-018) Show SMILES COc1ccncc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)O Show InChI InChI=1S/C23H23N5O3/c1-23(2,30)14-28-19-7-5-4-6-17(19)26-22(28)27-21(29)15-8-11-25-18(12-15)16-13-24-10-9-20(16)31-3/h4-13,30H,14H2,1-3H3,(H,26,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of wild type EGFR in mouse BAF3 cells assessed as reduction in cell proliferation incubated for 72 hrs by Celltiter-Glo luminescent cell v...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Mus musculus)	BDBM50505846 (CHEMBL4562138) Show SMILES C[C@@H]1CCCOc2c(cnn2C)-c2cc(cc(C)n2)C(=O)\N=C2/Nc3ccccc3N2C1 |r,c:23| Show InChI InChI=1S/C24H26N6O2/c1-15-7-6-10-32-23-18(13-25-29(23)3)20-12-17(11-16(2)26-20)22(31)28-24-27-19-8-4-5-9-21(19)30(24)14-15/h4-5,8-9,11-13,15H,6-7,10,14H2,1-3H3,(H,27,28,31)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of wild type EGFR in mouse BAF3 cells assessed as reduction in cell proliferation incubated for 72 hrs by Celltiter-Glo luminescent cell v...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Mus musculus)	BDBM50505842 (CHEMBL4519157) Show SMILES O=C1\N=C2/Nc3ccccc3N2CCCCCOc2ccccc2-c2cc1ccn2 |c:2| Show InChI InChI=1S/C24H22N4O2/c29-23-17-12-13-25-20(16-17)18-8-2-5-11-22(18)30-15-7-1-6-14-28-21-10-4-3-9-19(21)26-24(28)27-23/h2-5,8-13,16H,1,6-7,14-15H2,(H,26,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of wild type EGFR in mouse BAF3 cells assessed as reduction in cell proliferation incubated for 72 hrs by Celltiter-Glo luminescent cell v...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50505837 (CHEMBL4591327) Show SMILES CC(C)(O)Cn1c2ccccc2[nH]\c1=N/C(=O)c1cc(F)cc(c1)-c1cccnc1 Show InChI InChI=1S/C23H21FN4O2/c1-23(2,30)14-28-20-8-4-3-7-19(20)26-22(28)27-21(29)17-10-16(11-18(24)12-17)15-6-5-9-25-13-15/h3-13,30H,14H2,1-2H3,(H,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of GST-fusion tagged EGFR L858R/T790M/C797S triple mutant (unknown origin) (696 to 1022 residues) expressed in insect cells assessed as de...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Mus musculus)	BDBM50505840 (CHEMBL4550104) Show SMILES Cc1cc2cc(n1)-c1cnn(C)c1OCCCCCN1\C(Nc3ccccc13)=N\C2=O |t:31| Show InChI InChI=1S/C23H24N6O2/c1-15-12-16-13-19(25-15)17-14-24-28(2)22(17)31-11-7-3-6-10-29-20-9-5-4-8-18(20)26-23(29)27-21(16)30/h4-5,8-9,12-14H,3,6-7,10-11H2,1-2H3,(H,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of wild type EGFR in mouse BAF3 cells assessed as reduction in cell proliferation incubated for 72 hrs by Celltiter-Glo luminescent cell v...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50505844 (CHEMBL4444231) Show SMILES CC(C)(O)Cn1c2ccccc2[nH]\c1=N/C(=O)c1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C23H22N4O2/c1-23(2,29)15-27-20-11-4-3-10-19(20)25-22(27)26-21(28)17-8-5-7-16(13-17)18-9-6-12-24-14-18/h3-14,29H,15H2,1-2H3,(H,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of GST-fusion tagged EGFR L858R/T790M/C797S triple mutant (unknown origin) (696 to 1022 residues) expressed in insect cells assessed as de...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Mus musculus)	BDBM50505843 (CHEMBL4449589 | US11174245, # I-235) Show SMILES CC(C)(O)Cn1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1cccnc1 Show InChI InChI=1S/C22H21N5O2/c1-22(2,29)14-27-19-8-4-3-7-17(19)25-21(27)26-20(28)15-9-11-24-18(12-15)16-6-5-10-23-13-16/h3-13,29H,14H2,1-2H3,(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of wild type EGFR in mouse BAF3 cells assessed as reduction in cell proliferation incubated for 72 hrs by Celltiter-Glo luminescent cell v...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Mus musculus)	BDBM50505839 (CHEMBL4525935 | US11174245, # I-001) Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)O Show InChI InChI=1S/C21H22N6O2/c1-21(2,29)13-27-18-7-5-4-6-16(18)24-20(27)25-19(28)14-8-9-22-17(10-14)15-11-23-26(3)12-15/h4-12,29H,13H2,1-3H3,(H,24,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of wild type EGFR in mouse BAF3 cells assessed as reduction in cell proliferation incubated for 72 hrs by Celltiter-Glo luminescent cell v...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Mus musculus)	BDBM50505836 (CHEMBL4434788 | US11174245, # I-064) Show SMILES CC(C)(O)Cn1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1ccccc1 Show InChI InChI=1S/C23H22N4O2/c1-23(2,29)15-27-20-11-7-6-10-18(20)25-22(27)26-21(28)17-12-13-24-19(14-17)16-8-4-3-5-9-16/h3-14,29H,15H2,1-2H3,(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of wild type EGFR in mouse BAF3 cells assessed as reduction in cell proliferation incubated for 72 hrs by Celltiter-Glo luminescent cell v...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50505841 (CHEMBL4532034 | US11174245, # I-018) Show SMILES COc1ccncc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)O Show InChI InChI=1S/C23H23N5O3/c1-23(2,30)14-28-19-7-5-4-6-17(19)26-22(28)27-21(29)15-8-11-25-18(12-15)16-13-24-10-9-20(16)31-3/h4-13,30H,14H2,1-3H3,(H,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged wild type EGFR expressed in baculovirus expression system assessed as decrease in phosphorylation of ULigh...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50505836 (CHEMBL4434788 | US11174245, # I-064) Show SMILES CC(C)(O)Cn1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1ccccc1 Show InChI InChI=1S/C23H22N4O2/c1-23(2,29)15-27-20-11-7-6-10-18(20)25-22(27)26-21(28)17-12-13-24-19(14-17)16-8-4-3-5-9-16/h3-14,29H,15H2,1-2H3,(H,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged wild type EGFR expressed in baculovirus expression system assessed as decrease in phosphorylation of ULigh...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50505839 (CHEMBL4525935 | US11174245, # I-001) Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)O Show InChI InChI=1S/C21H22N6O2/c1-21(2,29)13-27-18-7-5-4-6-16(18)24-20(27)25-19(28)14-8-9-22-17(10-14)15-11-23-26(3)12-15/h4-12,29H,13H2,1-3H3,(H,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged wild type EGFR expressed in baculovirus expression system assessed as decrease in phosphorylation of ULigh...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50505837 (CHEMBL4591327) Show SMILES CC(C)(O)Cn1c2ccccc2[nH]\c1=N/C(=O)c1cc(F)cc(c1)-c1cccnc1 Show InChI InChI=1S/C23H21FN4O2/c1-23(2,30)14-28-20-8-4-3-7-19(20)26-22(28)27-21(29)17-10-16(11-18(24)12-17)15-6-5-9-25-13-15/h3-13,30H,14H2,1-2H3,(H,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged wild type EGFR expressed in baculovirus expression system assessed as decrease in phosphorylation of ULigh...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50505843 (CHEMBL4449589 | US11174245, # I-235) Show SMILES CC(C)(O)Cn1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1cccnc1 Show InChI InChI=1S/C22H21N5O2/c1-22(2,29)14-27-19-8-4-3-7-17(19)25-21(27)26-20(28)15-9-11-24-18(12-15)16-6-5-10-23-13-16/h3-13,29H,14H2,1-2H3,(H,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged wild type EGFR expressed in baculovirus expression system assessed as decrease in phosphorylation of ULigh...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50505844 (CHEMBL4444231) Show SMILES CC(C)(O)Cn1c2ccccc2[nH]\c1=N/C(=O)c1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C23H22N4O2/c1-23(2,29)15-27-20-11-4-3-10-19(20)25-22(27)26-21(28)17-8-5-7-16(13-17)18-9-6-12-24-14-18/h3-14,29H,15H2,1-2H3,(H,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged wild type EGFR expressed in baculovirus expression system assessed as decrease in phosphorylation of ULigh...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169 BindingDB Entry DOI: 10.7270/Q2XD14ZQ
					More data for this Ligand-Target Pair