Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM270584'   

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))	BDBM270584 ((S)-8-chloro-N6-((1- (1- (fluoromethyl) cyclopropy...) Show SMILES CC(C)(C)CNc1ncnc2c(Cl)cc(NC(c3cn(nn3)C3(CF)CC3)c3ccc(F)cc3)cc12 Show InChI InChI=1S/C26H28ClF2N7/c1-25(2,3)14-30-24-19-10-18(11-20(27)23(19)31-15-32-24)33-22(16-4-6-17(29)7-5-16)21-12-36(35-34-21)26(13-28)8-9-26/h4-7,10-12,15,22,33H,8-9,13-14H2,1-3H3,(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	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))	BDBM270584 ((S)-8-chloro-N6-((1- (1- (fluoromethyl) cyclopropy...) Show SMILES CC(C)(C)CNc1ncnc2c(Cl)cc(NC(c3cn(nn3)C3(CF)CC3)c3ccc(F)cc3)cc12 Show InChI InChI=1S/C26H28ClF2N7/c1-25(2,3)14-30-24-19-10-18(11-20(27)23(19)31-15-32-24)33-22(16-4-6-17(29)7-5-16)21-12-36(35-34-21)26(13-28)8-9-26/h4-7,10-12,15,22,33H,8-9,13-14H2,1-3H3,(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	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))	BDBM270584 ((S)-8-chloro-N6-((1- (1- (fluoromethyl) cyclopropy...) Show SMILES CC(C)(C)CNc1ncnc2c(Cl)cc(NC(c3cn(nn3)C3(CF)CC3)c3ccc(F)cc3)cc12 Show InChI InChI=1S/C26H28ClF2N7/c1-25(2,3)14-30-24-19-10-18(11-20(27)23(19)31-15-32-24)33-22(16-4-6-17(29)7-5-16)21-12-36(35-34-21)26(13-28)8-9-26/h4-7,10-12,15,22,33H,8-9,13-14H2,1-3H3,(H,30,31,32)	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	46	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))	BDBM270584 ((S)-8-chloro-N6-((1- (1- (fluoromethyl) cyclopropy...) Show SMILES CC(C)(C)CNc1ncnc2c(Cl)cc(NC(c3cn(nn3)C3(CF)CC3)c3ccc(F)cc3)cc12 Show InChI InChI=1S/C26H28ClF2N7/c1-25(2,3)14-30-24-19-10-18(11-20(27)23(19)31-15-32-24)33-22(16-4-6-17(29)7-5-16)21-12-36(35-34-21)26(13-28)8-9-26/h4-7,10-12,15,22,33H,8-9,13-14H2,1-3H3,(H,30,31,32)	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	46	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