Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor [T790M,L858R]' and Ligand = 'BDBM50029668'   

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 [T790M,L858R] (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 GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reagents and Materials:WT EGFR (Carna, Cat. No. 08-115), EGFR [L858R] (Carna, Cat. No. 08-502), EGFR [L858R/T790M] (Carna, Cat. No. 08-510), ATP (Sig...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T156S3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [T790M,L858R] (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 GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB WIPO WO2022090481	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [T790M,L858R] (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 GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [T790M,L858R] (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 GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College					Assay Description The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...				J Med Chem 51: 1706-18 (2008) BindingDB Entry DOI: 10.7270/Q2PV6NPJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [T790M,L858R] (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 GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB 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 L858R and T790M concurrent mutations can be assessed using Ba/F3 cells, a murine pro-B cell l...				J Med Chem 51: 1730-9 (2008) BindingDB Entry DOI: 10.7270/Q21Z46Q0
					More data for this Ligand-Target Pair				3D Structure (crystal)