null

SMILES: CN1CCC(Oc2ccc(Nc3ncc4cccc(-c5cccc(NC(=O)C=C)c5)c4n3)cc2)C(F)C1

InChI Key: InChIKey=FQCLNUWLGGCBFN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 318889   

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))	BDBM318889 (N-(3-(2-((4-((3-fluoro-1-methylpiperidin-4-yl)oxy)...) Show SMILES CN1CCC(Oc2ccc(Nc3ncc4cccc(-c5cccc(NC(=O)C=C)c5)c4n3)cc2)C(F)C1 Show InChI InChI=1S/C29H28FN5O2/c1-3-27(36)32-22-8-4-6-19(16-22)24-9-5-7-20-17-31-29(34-28(20)24)33-21-10-12-23(13-11-21)37-26-14-15-35(2)18-25(26)30/h3-13,16-17,25-26H,1,14-15,18H2,2H3,(H,32,36)(H,31,33,34)	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))	BDBM318889 (N-(3-(2-((4-((3-fluoro-1-methylpiperidin-4-yl)oxy)...) Show SMILES CN1CCC(Oc2ccc(Nc3ncc4cccc(-c5cccc(NC(=O)C=C)c5)c4n3)cc2)C(F)C1 Show InChI InChI=1S/C29H28FN5O2/c1-3-27(36)32-22-8-4-6-19(16-22)24-9-5-7-20-17-31-29(34-28(20)24)33-21-10-12-23(13-11-21)37-26-14-15-35(2)18-25(26)30/h3-13,16-17,25-26H,1,14-15,18H2,2H3,(H,32,36)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt 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))	BDBM318889 (N-(3-(2-((4-((3-fluoro-1-methylpiperidin-4-yl)oxy)...) Show SMILES CN1CCC(Oc2ccc(Nc3ncc4cccc(-c5cccc(NC(=O)C=C)c5)c4n3)cc2)C(F)C1 Show InChI InChI=1S/C29H28FN5O2/c1-3-27(36)32-22-8-4-6-19(16-22)24-9-5-7-20-17-31-29(34-28(20)24)33-21-10-12-23(13-11-21)37-26-14-15-35(2)18-25(26)30/h3-13,16-17,25-26H,1,14-15,18H2,2H3,(H,32,36)(H,31,33,34)	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))	BDBM318889 (N-(3-(2-((4-((3-fluoro-1-methylpiperidin-4-yl)oxy)...) Show SMILES CN1CCC(Oc2ccc(Nc3ncc4cccc(-c5cccc(NC(=O)C=C)c5)c4n3)cc2)C(F)C1 Show InChI InChI=1S/C29H28FN5O2/c1-3-27(36)32-22-8-4-6-19(16-22)24-9-5-7-20-17-31-29(34-28(20)24)33-21-10-12-23(13-11-21)37-26-14-15-35(2)18-25(26)30/h3-13,16-17,25-26H,1,14-15,18H2,2H3,(H,32,36)(H,31,33,34)	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))	BDBM318889 (N-(3-(2-((4-((3-fluoro-1-methylpiperidin-4-yl)oxy)...) Show SMILES CN1CCC(Oc2ccc(Nc3ncc4cccc(-c5cccc(NC(=O)C=C)c5)c4n3)cc2)C(F)C1 Show InChI InChI=1S/C29H28FN5O2/c1-3-27(36)32-22-8-4-6-19(16-22)24-9-5-7-20-17-31-29(34-28(20)24)33-21-10-12-23(13-11-21)37-26-14-15-35(2)18-25(26)30/h3-13,16-17,25-26H,1,14-15,18H2,2H3,(H,32,36)(H,31,33,34)	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))	BDBM318889 (N-(3-(2-((4-((3-fluoro-1-methylpiperidin-4-yl)oxy)...) Show SMILES CN1CCC(Oc2ccc(Nc3ncc4cccc(-c5cccc(NC(=O)C=C)c5)c4n3)cc2)C(F)C1 Show InChI InChI=1S/C29H28FN5O2/c1-3-27(36)32-22-8-4-6-19(16-22)24-9-5-7-20-17-31-29(34-28(20)24)33-21-10-12-23(13-11-21)37-26-14-15-35(2)18-25(26)30/h3-13,16-17,25-26H,1,14-15,18H2,2H3,(H,32,36)(H,31,33,34)	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 (Homo sapiens (Human))	BDBM318889 (N-(3-(2-((4-((3-fluoro-1-methylpiperidin-4-yl)oxy)...) Show SMILES CN1CCC(Oc2ccc(Nc3ncc4cccc(-c5cccc(NC(=O)C=C)c5)c4n3)cc2)C(F)C1 Show InChI InChI=1S/C29H28FN5O2/c1-3-27(36)32-22-8-4-6-19(16-22)24-9-5-7-20-17-31-29(34-28(20)24)33-21-10-12-23(13-11-21)37-26-14-15-35(2)18-25(26)30/h3-13,16-17,25-26H,1,14-15,18H2,2H3,(H,32,36)(H,31,33,34)	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))	BDBM318889 (N-(3-(2-((4-((3-fluoro-1-methylpiperidin-4-yl)oxy)...) Show SMILES CN1CCC(Oc2ccc(Nc3ncc4cccc(-c5cccc(NC(=O)C=C)c5)c4n3)cc2)C(F)C1 Show InChI InChI=1S/C29H28FN5O2/c1-3-27(36)32-22-8-4-6-19(16-22)24-9-5-7-20-17-31-29(34-28(20)24)33-21-10-12-23(13-11-21)37-26-14-15-35(2)18-25(26)30/h3-13,16-17,25-26H,1,14-15,18H2,2H3,(H,32,36)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt 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))	BDBM318889 (N-(3-(2-((4-((3-fluoro-1-methylpiperidin-4-yl)oxy)...) Show SMILES CN1CCC(Oc2ccc(Nc3ncc4cccc(-c5cccc(NC(=O)C=C)c5)c4n3)cc2)C(F)C1 Show InChI InChI=1S/C29H28FN5O2/c1-3-27(36)32-22-8-4-6-19(16-22)24-9-5-7-20-17-31-29(34-28(20)24)33-21-10-12-23(13-11-21)37-26-14-15-35(2)18-25(26)30/h3-13,16-17,25-26H,1,14-15,18H2,2H3,(H,32,36)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt 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