Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM270583'   

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))	BDBM270583 ((S)-8-bromo-N6-((1- cyclopropyl-1H- 1,2,3-triazol-...) Show SMILES CC(C)(C)CNc1ncnc2c(Br)cc(NC(c3cn(nn3)C3CC3)c3ccc(F)cc3)cc12 Show InChI InChI=1S/C25H27BrFN7/c1-25(2,3)13-28-24-19-10-17(11-20(26)23(19)29-14-30-24)31-22(15-4-6-16(27)7-5-15)21-12-34(33-32-21)18-8-9-18/h4-7,10-12,14,18,22,31H,8-9,13H2,1-3H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...				US Patent US10577352 (2020) BindingDB Entry DOI: 10.7270/Q20P12D3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM270583 ((S)-8-bromo-N6-((1- cyclopropyl-1H- 1,2,3-triazol-...) Show SMILES CC(C)(C)CNc1ncnc2c(Br)cc(NC(c3cn(nn3)C3CC3)c3ccc(F)cc3)cc12 Show InChI InChI=1S/C25H27BrFN7/c1-25(2,3)13-28-24-19-10-17(11-20(26)23(19)29-14-30-24)31-22(15-4-6-16(27)7-5-15)21-12-34(33-32-21)18-8-9-18/h4-7,10-12,14,18,22,31H,8-9,13H2,1-3H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.0	25
GILEAD SCIENCES, INC. US Patent					Assay Description EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...				US Patent US10059695 (2018) BindingDB Entry DOI: 10.7270/Q2FB54Z6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM270583 ((S)-8-bromo-N6-((1- cyclopropyl-1H- 1,2,3-triazol-...) Show SMILES CC(C)(C)CNc1ncnc2c(Br)cc(NC(c3cn(nn3)C3CC3)c3ccc(F)cc3)cc12 Show InChI InChI=1S/C25H27BrFN7/c1-25(2,3)13-28-24-19-10-17(11-20(26)23(19)29-14-30-24)31-22(15-4-6-16(27)7-5-15)21-12-34(33-32-21)18-8-9-18/h4-7,10-12,14,18,22,31H,8-9,13H2,1-3H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	82	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...				US Patent US10577352 (2020) BindingDB Entry DOI: 10.7270/Q20P12D3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM270583 ((S)-8-bromo-N6-((1- cyclopropyl-1H- 1,2,3-triazol-...) Show SMILES CC(C)(C)CNc1ncnc2c(Br)cc(NC(c3cn(nn3)C3CC3)c3ccc(F)cc3)cc12 Show InChI InChI=1S/C25H27BrFN7/c1-25(2,3)13-28-24-19-10-17(11-20(26)23(19)29-14-30-24)31-22(15-4-6-16(27)7-5-15)21-12-34(33-32-21)18-8-9-18/h4-7,10-12,14,18,22,31H,8-9,13H2,1-3H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	82	n/a	n/a	7.0	25
GILEAD SCIENCES, INC. US Patent					Assay Description EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...				US Patent US10059695 (2018) BindingDB Entry DOI: 10.7270/Q2FB54Z6
					More data for this Ligand-Target Pair