Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM368401'   

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))	BDBM368401 (US10227342, Example 35) Show SMILES COc1cc(N(C)C[C@@H]2CCCN2C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1cn(C)c2ccccc12 |r| Show InChI InChI=1S/C34H41N7O4/c1-8-31(42)36-26-16-27(30(44-7)17-29(26)40(5)19-22-12-11-15-39(22)4)37-34-35-18-24(33(43)45-21(2)3)32(38-34)25-20-41(6)28-14-10-9-13-23(25)28/h8-10,13-14,16-18,20-22H,1,11-12,15,19H2,2-7H3,(H,36,42)(H,35,37,38)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM368401 (US10227342, Example 35) Show SMILES COc1cc(N(C)C[C@@H]2CCCN2C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1cn(C)c2ccccc12 |r| Show InChI InChI=1S/C34H41N7O4/c1-8-31(42)36-26-16-27(30(44-7)17-29(26)40(5)19-22-12-11-15-39(22)4)37-34-35-18-24(33(43)45-21(2)3)32(38-34)25-20-41(6)28-14-10-9-13-23(25)28/h8-10,13-14,16-18,20-22H,1,11-12,15,19H2,2-7H3,(H,36,42)(H,35,37,38)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience					Assay Description A compound's ability in selectively inhibiting Her2 exon 20 YVMA insertion mutations can be assessed using Ba/F3 cells, a murine pro-B cell line,...				J Med Chem 51: 1730-9 (2008) BindingDB Entry DOI: 10.7270/Q21Z46Q0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM368401 (US10227342, Example 35) Show SMILES COc1cc(N(C)C[C@@H]2CCCN2C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1cn(C)c2ccccc12 |r| Show InChI InChI=1S/C34H41N7O4/c1-8-31(42)36-26-16-27(30(44-7)17-29(26)40(5)19-22-12-11-15-39(22)4)37-34-35-18-24(33(43)45-21(2)3)32(38-34)25-20-41(6)28-14-10-9-13-23(25)28/h8-10,13-14,16-18,20-22H,1,11-12,15,19H2,2-7H3,(H,36,42)(H,35,37,38)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience					Assay Description A compound's ability in selectively inhibiting EGFR exon 20 insertion mutations can be assessed using Ba/F3 cells, a murine pro-B cell line, whic...				J Med Chem 51: 1730-9 (2008) BindingDB Entry DOI: 10.7270/Q21Z46Q0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM368401 (US10227342, Example 35) Show SMILES COc1cc(N(C)C[C@@H]2CCCN2C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1cn(C)c2ccccc12 |r| Show InChI InChI=1S/C34H41N7O4/c1-8-31(42)36-26-16-27(30(44-7)17-29(26)40(5)19-22-12-11-15-39(22)4)37-34-35-18-24(33(43)45-21(2)3)32(38-34)25-20-41(6)28-14-10-9-13-23(25)28/h8-10,13-14,16-18,20-22H,1,11-12,15,19H2,2-7H3,(H,36,42)(H,35,37,38)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience					Assay Description A compound's ability in selectively inhibiting EGFR exon 20 insertion mutations can be assessed using Ba/F3 cells, a murine pro-B cell line, whic...				J Med Chem 51: 1730-9 (2008) BindingDB Entry DOI: 10.7270/Q21Z46Q0
					More data for this Ligand-Target Pair