BDBM318900 N-(3-(2-((4-(2-hydroxyethoxy)phenyl)amino)quinazolin-8-yl)phenyl)acrylamide::US10172868, Compound C108::US10653701, Compound C108

SMILES: OCCOc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1

InChI Key: InChIKey=FEFINBMHJQGFOG-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 318900   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM318900 (N-(3-(2-((4-(2-hydroxyethoxy)phenyl)amino)quinazol...) Show SMILES OCCOc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C25H22N4O3/c1-2-23(31)27-20-7-3-5-17(15-20)22-8-4-6-18-16-26-25(29-24(18)22)28-19-9-11-21(12-10-19)32-14-13-30/h2-12,15-16,30H,1,13-14H2,(H,27,31)(H,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
NEUPHARMA, INC. US Patent					Assay Description The compound of Formula I binds to a kinase selected from the group consisting of EGFR, EGFR L858R, EGFR T790M, EGFR del E746-A750, or EGFR L858R/T79...				US Patent US10172868 (2019) BindingDB Entry DOI: 10.7270/Q25141BX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM318900 (N-(3-(2-((4-(2-hydroxyethoxy)phenyl)amino)quinazol...) Show SMILES OCCOc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C25H22N4O3/c1-2-23(31)27-20-7-3-5-17(15-20)22-8-4-6-18-16-26-25(29-24(18)22)28-19-9-11-21(12-10-19)32-14-13-30/h2-12,15-16,30H,1,13-14H2,(H,27,31)(H,26,28,29)	PDB MMDB KEGG B.MOAD DrugBank 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
NEUPHARMA, INC. US Patent					Assay Description The compound of Formula I binds to a kinase selected from the group consisting of EGFR, EGFR L858R, EGFR T790M, EGFR del E746-A750, or EGFR L858R/T79...				US Patent US10172868 (2019) BindingDB Entry DOI: 10.7270/Q25141BX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM318900 (N-(3-(2-((4-(2-hydroxyethoxy)phenyl)amino)quinazol...) Show SMILES OCCOc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C25H22N4O3/c1-2-23(31)27-20-7-3-5-17(15-20)22-8-4-6-18-16-26-25(29-24(18)22)28-19-9-11-21(12-10-19)32-14-13-30/h2-12,15-16,30H,1,13-14H2,(H,27,31)(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway 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
NEUPHARMA, INC. US Patent					Assay Description The compound of Formula I binds to a kinase selected from the group consisting of EGFR, EGFR L858R, EGFR T790M, EGFR del E746-A750, or EGFR L858R/T79...				US Patent US10172868 (2019) BindingDB Entry DOI: 10.7270/Q25141BX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318900 (N-(3-(2-((4-(2-hydroxyethoxy)phenyl)amino)quinazol...) Show SMILES OCCOc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C25H22N4O3/c1-2-23(31)27-20-7-3-5-17(15-20)22-8-4-6-18-16-26-25(29-24(18)22)28-19-9-11-21(12-10-19)32-14-13-30/h2-12,15-16,30H,1,13-14H2,(H,27,31)(H,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
NEUPHARMA, INC. US Patent					Assay Description (i) Peptide/Kinase Mixtures for measurement of EGFR (ErbB1):The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM...				US Patent US10653701 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	US11304957, Compound C108 (N-(3-(2-((4-(2-hydroxyethoxy)phenyl)amino)quinazol...) Show SMILES OCCOc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C25H22N4O3/c1-2-23(31)27-20-7-3-5-17(15-20)22-8-4-6-18-16-26-25(29-24(18)22)28-19-9-11-21(12-10-19)32-14-13-30/h2-12,15-16,30H,1,13-14H2,(H,27,31)(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM318900 (N-(3-(2-((4-(2-hydroxyethoxy)phenyl)amino)quinazol...) Show SMILES OCCOc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C25H22N4O3/c1-2-23(31)27-20-7-3-5-17(15-20)22-8-4-6-18-16-26-25(29-24(18)22)28-19-9-11-21(12-10-19)32-14-13-30/h2-12,15-16,30H,1,13-14H2,(H,27,31)(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway 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
NEUPHARMA, INC. US Patent					Assay Description (i) Peptide/Kinase Mixtures for measurement of EGFR (ErbB1):The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM...				US Patent US10653701 (2020)
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (EGFR) (Homo sapiens (Human))	US11304957, Compound C108 (N-(3-(2-((4-(2-hydroxyethoxy)phenyl)amino)quinazol...) Show SMILES OCCOc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C25H22N4O3/c1-2-23(31)27-20-7-3-5-17(15-20)22-8-4-6-18-16-26-25(29-24(18)22)28-19-9-11-21(12-10-19)32-14-13-30/h2-12,15-16,30H,1,13-14H2,(H,27,31)(H,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	300	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 [T790M,L858R] (Homo sapiens (Human))	US11304957, Compound C108 (N-(3-(2-((4-(2-hydroxyethoxy)phenyl)amino)quinazol...) Show SMILES OCCOc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C25H22N4O3/c1-2-23(31)27-20-7-3-5-17(15-20)22-8-4-6-18-16-26-25(29-24(18)22)28-19-9-11-21(12-10-19)32-14-13-30/h2-12,15-16,30H,1,13-14H2,(H,27,31)(H,26,28,29)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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 [T790M,L858R] (Homo sapiens (Human))	BDBM318900 (N-(3-(2-((4-(2-hydroxyethoxy)phenyl)amino)quinazol...) Show SMILES OCCOc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C25H22N4O3/c1-2-23(31)27-20-7-3-5-17(15-20)22-8-4-6-18-16-26-25(29-24(18)22)28-19-9-11-21(12-10-19)32-14-13-30/h2-12,15-16,30H,1,13-14H2,(H,27,31)(H,26,28,29)	PDB MMDB KEGG B.MOAD DrugBank 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
NEUPHARMA, INC. US Patent					Assay Description (i) Peptide/Kinase Mixtures for measurement of EGFR (ErbB1):The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM...				US Patent US10653701 (2020)
					More data for this Ligand-Target Pair