Compile Data Set for Download or QSAR

Found 103 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1370   

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))	BDBM318871 (N-(5-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cncc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C27H27N7O/c1-3-25(35)30-22-15-20(16-28-18-22)24-6-4-5-19-17-29-27(32-26(19)24)31-21-7-9-23(10-8-21)34-13-11-33(2)12-14-34/h3-10,15-18H,1,11-14H2,2H3,(H,30,35)(H,29,31,32)	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318872 (N-(3-(2-((6-(4-methylpiperazin-1-yl)pyridin-3-yl)a...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cn1 Show InChI InChI=1S/C27H27N7O/c1-3-25(35)30-21-8-4-6-19(16-21)23-9-5-7-20-17-29-27(32-26(20)23)31-22-10-11-24(28-18-22)34-14-12-33(2)13-15-34/h3-11,16-18H,1,12-15H2,2H3,(H,30,35)(H,29,31,32)	PDB MMDB 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 [T790M,L858R] (Homo sapiens (Human))	BDBM318872 (N-(3-(2-((6-(4-methylpiperazin-1-yl)pyridin-3-yl)a...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cn1 Show InChI InChI=1S/C27H27N7O/c1-3-25(35)30-21-8-4-6-19(16-21)23-9-5-7-20-17-29-27(32-26(20)23)31-22-10-11-24(28-18-22)34-14-12-33(2)13-15-34/h3-11,16-18H,1,12-15H2,2H3,(H,30,35)(H,29,31,32)	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))	BDBM318872 (N-(3-(2-((6-(4-methylpiperazin-1-yl)pyridin-3-yl)a...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cn1 Show InChI InChI=1S/C27H27N7O/c1-3-25(35)30-21-8-4-6-19(16-21)23-9-5-7-20-17-29-27(32-26(20)23)31-22-10-11-24(28-18-22)34-14-12-33(2)13-15-34/h3-11,16-18H,1,12-15H2,2H3,(H,30,35)(H,29,31,32)	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
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM318872 (N-(3-(2-((6-(4-methylpiperazin-1-yl)pyridin-3-yl)a...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cn1 Show InChI InChI=1S/C27H27N7O/c1-3-25(35)30-21-8-4-6-19(16-21)23-9-5-7-20-17-29-27(32-26(20)23)31-22-10-11-24(28-18-22)34-14-12-33(2)13-15-34/h3-11,16-18H,1,12-15H2,2H3,(H,30,35)(H,29,31,32)	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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM318872 (N-(3-(2-((6-(4-methylpiperazin-1-yl)pyridin-3-yl)a...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cn1 Show InChI InChI=1S/C27H27N7O/c1-3-25(35)30-21-8-4-6-19(16-21)23-9-5-7-20-17-29-27(32-26(20)23)31-22-10-11-24(28-18-22)34-14-12-33(2)13-15-34/h3-11,16-18H,1,12-15H2,2H3,(H,30,35)(H,29,31,32)	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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM318872 (N-(3-(2-((6-(4-methylpiperazin-1-yl)pyridin-3-yl)a...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cn1 Show InChI InChI=1S/C27H27N7O/c1-3-25(35)30-21-8-4-6-19(16-21)23-9-5-7-20-17-29-27(32-26(20)23)31-22-10-11-24(28-18-22)34-14-12-33(2)13-15-34/h3-11,16-18H,1,12-15H2,2H3,(H,30,35)(H,29,31,32)	PDB 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))	BDBM318873 (N-(3-(2-((2-fluoro-4-(4-methylpiperazin-1-yl)pheny...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)c(F)c1 Show InChI InChI=1S/C28H27FN6O/c1-3-26(36)31-21-8-4-6-19(16-21)23-9-5-7-20-18-30-28(33-27(20)23)32-25-11-10-22(17-24(25)29)35-14-12-34(2)13-15-35/h3-11,16-18H,1,12-15H2,2H3,(H,31,36)(H,30,32,33)	PDB MMDB 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 [T790M,L858R] (Homo sapiens (Human))	BDBM318873 (N-(3-(2-((2-fluoro-4-(4-methylpiperazin-1-yl)pheny...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)c(F)c1 Show InChI InChI=1S/C28H27FN6O/c1-3-26(36)31-21-8-4-6-19(16-21)23-9-5-7-20-18-30-28(33-27(20)23)32-25-11-10-22(17-24(25)29)35-14-12-34(2)13-15-35/h3-11,16-18H,1,12-15H2,2H3,(H,31,36)(H,30,32,33)	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))	BDBM318873 (N-(3-(2-((2-fluoro-4-(4-methylpiperazin-1-yl)pheny...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)c(F)c1 Show InChI InChI=1S/C28H27FN6O/c1-3-26(36)31-21-8-4-6-19(16-21)23-9-5-7-20-18-30-28(33-27(20)23)32-25-11-10-22(17-24(25)29)35-14-12-34(2)13-15-35/h3-11,16-18H,1,12-15H2,2H3,(H,31,36)(H,30,32,33)	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 [T790M,L858R] (Homo sapiens (Human))	BDBM318874 (N-(2-fluoro-3-(2-((4-(4-methylpiperazin-1-yl)pheny...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4F)c3n2)cc1 Show InChI InChI=1S/C28H27FN6O/c1-3-25(36)32-24-9-5-7-22(26(24)29)23-8-4-6-19-18-30-28(33-27(19)23)31-20-10-12-21(13-11-20)35-16-14-34(2)15-17-35/h3-13,18H,1,14-17H2,2H3,(H,32,36)(H,30,31,33)	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318875 (N-(2-fluoro-3-(2-((6-(4-methylpiperazin-1-yl)pyrid...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4F)c3n2)cn1 Show InChI InChI=1S/C27H26FN7O/c1-3-24(36)32-22-9-5-7-20(25(22)28)21-8-4-6-18-16-30-27(33-26(18)21)31-19-10-11-23(29-17-19)35-14-12-34(2)13-15-35/h3-11,16-17H,1,12-15H2,2H3,(H,32,36)(H,30,31,33)	PDB MMDB 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 [T790M,L858R] (Homo sapiens (Human))	BDBM318875 (N-(2-fluoro-3-(2-((6-(4-methylpiperazin-1-yl)pyrid...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4F)c3n2)cn1 Show InChI InChI=1S/C27H26FN7O/c1-3-24(36)32-22-9-5-7-20(25(22)28)21-8-4-6-18-16-30-27(33-26(18)21)31-19-10-11-23(29-17-19)35-14-12-34(2)13-15-35/h3-11,16-17H,1,12-15H2,2H3,(H,32,36)(H,30,31,33)	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
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM318876 (N-(3-(2-((4-(4-acetylpiperazin-1-yl)phenyl)amino)q...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4F)c3n2)cc1 Show InChI InChI=1S/C29H27FN6O2/c1-3-26(38)33-25-9-5-7-23(27(25)30)24-8-4-6-20-18-31-29(34-28(20)24)32-21-10-12-22(13-11-21)36-16-14-35(15-17-36)19(2)37/h3-13,18H,1,14-17H2,2H3,(H,33,38)(H,31,32,34)	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
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM318877 (N-(2-chloro-3-(2-((4-(4-methylpiperazin-1-yl)pheny...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4Cl)c3n2)cc1 Show InChI InChI=1S/C28H27ClN6O/c1-3-25(36)32-24-9-5-7-22(26(24)29)23-8-4-6-19-18-30-28(33-27(19)23)31-20-10-12-21(13-11-20)35-16-14-34(2)15-17-35/h3-13,18H,1,14-17H2,2H3,(H,32,36)(H,30,31,33)	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
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM318878 (N-(4-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4ccnc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C27H27N7O/c1-3-25(35)31-24-17-19(11-12-28-24)23-6-4-5-20-18-29-27(32-26(20)23)30-21-7-9-22(10-8-21)34-15-13-33(2)14-16-34/h3-12,17-18H,1,13-16H2,2H3,(H,28,31,35)(H,29,30,32)	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318879 (N-(3-(2-((4-(4-(2-hydroxyethyl)piperazin-1-yl)phen...) Show SMILES OCCN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C29H30N6O2/c1-2-27(37)31-24-7-3-5-21(19-24)26-8-4-6-22-20-30-29(33-28(22)26)32-23-9-11-25(12-10-23)35-15-13-34(14-16-35)17-18-36/h2-12,19-20,36H,1,13-18H2,(H,31,37)(H,30,32,33)	PDB MMDB 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 [T790M,L858R] (Homo sapiens (Human))	BDBM318879 (N-(3-(2-((4-(4-(2-hydroxyethyl)piperazin-1-yl)phen...) Show SMILES OCCN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C29H30N6O2/c1-2-27(37)31-24-7-3-5-21(19-24)26-8-4-6-22-20-30-29(33-28(22)26)32-23-9-11-25(12-10-23)35-15-13-34(14-16-35)17-18-36/h2-12,19-20,36H,1,13-18H2,(H,31,37)(H,30,32,33)	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))	BDBM318879 (N-(3-(2-((4-(4-(2-hydroxyethyl)piperazin-1-yl)phen...) Show SMILES OCCN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C29H30N6O2/c1-2-27(37)31-24-7-3-5-21(19-24)26-8-4-6-22-20-30-29(33-28(22)26)32-23-9-11-25(12-10-23)35-15-13-34(14-16-35)17-18-36/h2-12,19-20,36H,1,13-18H2,(H,31,37)(H,30,32,33)	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
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM318879 (N-(3-(2-((4-(4-(2-hydroxyethyl)piperazin-1-yl)phen...) Show SMILES OCCN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C29H30N6O2/c1-2-27(37)31-24-7-3-5-21(19-24)26-8-4-6-22-20-30-29(33-28(22)26)32-23-9-11-25(12-10-23)35-15-13-34(14-16-35)17-18-36/h2-12,19-20,36H,1,13-18H2,(H,31,37)(H,30,32,33)	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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM318879 (N-(3-(2-((4-(4-(2-hydroxyethyl)piperazin-1-yl)phen...) Show SMILES OCCN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C29H30N6O2/c1-2-27(37)31-24-7-3-5-21(19-24)26-8-4-6-22-20-30-29(33-28(22)26)32-23-9-11-25(12-10-23)35-15-13-34(14-16-35)17-18-36/h2-12,19-20,36H,1,13-18H2,(H,31,37)(H,30,32,33)	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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM318879 (N-(3-(2-((4-(4-(2-hydroxyethyl)piperazin-1-yl)phen...) Show SMILES OCCN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C29H30N6O2/c1-2-27(37)31-24-7-3-5-21(19-24)26-8-4-6-22-20-30-29(33-28(22)26)32-23-9-11-25(12-10-23)35-15-13-34(14-16-35)17-18-36/h2-12,19-20,36H,1,13-18H2,(H,31,37)(H,30,32,33)	PDB 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 [T790M,L858R] (Homo sapiens (Human))	BDBM318880 (N-(2-fluoro-3-(2-((4-(4-(2-fluoroethyl)piperazin-1...) Show SMILES FCCN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4F)c3n2)cc1 Show InChI InChI=1S/C29H28F2N6O/c1-2-26(38)34-25-8-4-6-23(27(25)31)24-7-3-5-20-19-32-29(35-28(20)24)33-21-9-11-22(12-10-21)37-17-15-36(14-13-30)16-18-37/h2-12,19H,1,13-18H2,(H,34,38)(H,32,33,35)	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
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM318881 (N-(2-methoxy-3-(2-((4-(4-methylpiperazin-1-yl)phen...) Show SMILES COc1c(NC(=O)C=C)cccc1-c1cccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C29H30N6O2/c1-4-26(36)32-25-10-6-9-24(28(25)37-3)23-8-5-7-20-19-30-29(33-27(20)23)31-21-11-13-22(14-12-21)35-17-15-34(2)16-18-35/h4-14,19H,1,15-18H2,2-3H3,(H,32,36)(H,30,31,33)	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
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM318882 (N-(4-fluoro-3-(2-((4-(4-methylpiperazin-1-yl)pheny...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cc(NC(=O)C=C)ccc4F)c3n2)cc1 Show InChI InChI=1S/C28H27FN6O/c1-3-26(36)31-21-9-12-25(29)24(17-21)23-6-4-5-19-18-30-28(33-27(19)23)32-20-7-10-22(11-8-20)35-15-13-34(2)14-16-35/h3-12,17-18H,1,13-16H2,2H3,(H,31,36)(H,30,32,33)	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
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM318883 (N-(2-cyano-3-(2-((4-(4-methylpiperazin-1-yl)phenyl...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4C#N)c3n2)cc1 Show InChI InChI=1S/C29H27N7O/c1-3-27(37)33-26-9-5-7-23(25(26)18-30)24-8-4-6-20-19-31-29(34-28(20)24)32-21-10-12-22(13-11-21)36-16-14-35(2)15-17-36/h3-13,19H,1,14-17H2,2H3,(H,33,37)(H,31,32,34)	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
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM318884 (N-(3-(2-((3-chloro-4-(4-methylpiperazin-1-yl)pheny...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1Cl Show InChI InChI=1S/C28H27ClN6O/c1-3-26(36)31-21-8-4-6-19(16-21)23-9-5-7-20-18-30-28(33-27(20)23)32-22-10-11-25(24(29)17-22)35-14-12-34(2)13-15-35/h3-11,16-18H,1,12-15H2,2H3,(H,31,36)(H,30,32,33)	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
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM318885 (N-(3-(2-((3-cyano-4-(4-methylpiperazin-1-yl)phenyl...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1C#N Show InChI InChI=1S/C29H27N7O/c1-3-27(37)32-23-8-4-6-20(16-23)25-9-5-7-21-19-31-29(34-28(21)25)33-24-10-11-26(22(17-24)18-30)36-14-12-35(2)13-15-36/h3-11,16-17,19H,1,12-15H2,2H3,(H,32,37)(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
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM318886 (N-(3-(2-((3-methoxy-4-(4-methylpiperazin-1-yl)phen...) Show SMILES COc1cc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C29H30N6O2/c1-4-27(36)31-22-9-5-7-20(17-22)24-10-6-8-21-19-30-29(33-28(21)24)32-23-11-12-25(26(18-23)37-3)35-15-13-34(2)14-16-35/h4-12,17-19H,1,13-16H2,2-3H3,(H,31,36)(H,30,32,33)	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
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM318887 (N-(3-(2-((4-(3-(hydroxymethyl)-4-methylpiperazin-1...) Show SMILES CN1CCN(CC1CO)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C29H30N6O2/c1-3-27(37)31-23-8-4-6-20(16-23)26-9-5-7-21-17-30-29(33-28(21)26)32-22-10-12-24(13-11-22)35-15-14-34(2)25(18-35)19-36/h3-13,16-17,25,36H,1,14-15,18-19H2,2H3,(H,31,37)(H,30,32,33)	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
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM318888 (N-(3-(2-((4-((1-(2-fluoroethyl)azetidin-3-yl)oxy)p...) Show SMILES FCCN1CC(C1)Oc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C28H26FN5O2/c1-2-26(35)31-22-7-3-5-19(15-22)25-8-4-6-20-16-30-28(33-27(20)25)32-21-9-11-23(12-10-21)36-24-17-34(18-24)14-13-29/h2-12,15-16,24H,1,13-14,17-18H2,(H,31,35)(H,30,32,33)	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
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 [T790M,L858R] (Homo sapiens (Human))	BDBM318890 (N-(2-fluoro-3-(2-((4-((3-fluoro-1-methylpiperidin-...) Show SMILES CN1CCC(Oc2ccc(Nc3ncc4cccc(-c5cccc(NC(=O)C=C)c5F)c4n3)cc2)C(F)C1 Show InChI InChI=1S/C29H27F2N5O2/c1-3-26(37)34-24-9-5-7-21(27(24)31)22-8-4-6-18-16-32-29(35-28(18)22)33-19-10-12-20(13-11-19)38-25-14-15-36(2)17-23(25)30/h3-13,16,23,25H,1,14-15,17H2,2H3,(H,34,37)(H,32,33,35)	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
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM318891 (N-(3-(2-((5-chloro-6-(4-methylpiperazin-1-yl)pyrid...) Show SMILES CN1CCN(CC1)c1ncc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1Cl Show InChI InChI=1S/C27H26ClN7O/c1-3-24(36)31-20-8-4-6-18(14-20)22-9-5-7-19-16-30-27(33-25(19)22)32-21-15-23(28)26(29-17-21)35-12-10-34(2)11-13-35/h3-9,14-17H,1,10-13H2,2H3,(H,31,36)(H,30,32,33)	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
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM318892 (5-((8-(3-acrylamidophenyl)quinazolin-2-yl)amino)-2...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1C(N)=O Show InChI InChI=1S/C29H29N7O2/c1-3-26(37)32-21-8-4-6-19(16-21)23-9-5-7-20-18-31-29(34-27(20)23)33-22-10-11-25(24(17-22)28(30)38)36-14-12-35(2)13-15-36/h3-11,16-18H,1,12-15H2,2H3,(H2,30,38)(H,32,37)(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))	BDBM318892 (5-((8-(3-acrylamidophenyl)quinazolin-2-yl)amino)-2...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1C(N)=O Show InChI InChI=1S/C29H29N7O2/c1-3-26(37)32-21-8-4-6-19(16-21)23-9-5-7-20-18-31-29(34-27(20)23)33-22-10-11-25(24(17-22)28(30)38)36-14-12-35(2)13-15-36/h3-11,16-18H,1,12-15H2,2H3,(H2,30,38)(H,32,37)(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 [T790M,L858R] (Homo sapiens (Human))	BDBM318893 (N-(3-(7-fluoro-2-((4-(4-methylpiperazin-1-yl)pheny...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(F)c(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C28H27FN6O/c1-3-25(36)31-22-6-4-5-19(17-22)26-24(29)12-7-20-18-30-28(33-27(20)26)32-21-8-10-23(11-9-21)35-15-13-34(2)14-16-35/h3-12,17-18H,1,13-16H2,2H3,(H,31,36)(H,30,32,33)	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
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM318894 (N-(3-(7-fluoro-2-((4-(4-(2-fluoroethyl)piperazin-1...) Show SMILES FCCN1CCN(CC1)c1ccc(Nc2ncc3ccc(F)c(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C29H28F2N6O/c1-2-26(38)33-23-5-3-4-20(18-23)27-25(31)11-6-21-19-32-29(35-28(21)27)34-22-7-9-24(10-8-22)37-16-14-36(13-12-30)15-17-37/h2-11,18-19H,1,12-17H2,(H,33,38)(H,32,34,35)	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318895 (N-(3-(2-((4-((1-(2-hydroxyethyl)azetidin-3-yl)amin...) Show SMILES OCCN1CC(C1)Nc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C28H28N6O2/c1-2-26(36)31-23-7-3-5-19(15-23)25-8-4-6-20-16-29-28(33-27(20)25)32-22-11-9-21(10-12-22)30-24-17-34(18-24)13-14-35/h2-12,15-16,24,30,35H,1,13-14,17-18H2,(H,31,36)(H,29,32,33)	PDB MMDB 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 [T790M,L858R] (Homo sapiens (Human))	BDBM318895 (N-(3-(2-((4-((1-(2-hydroxyethyl)azetidin-3-yl)amin...) Show SMILES OCCN1CC(C1)Nc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C28H28N6O2/c1-2-26(36)31-23-7-3-5-19(15-23)25-8-4-6-20-16-29-28(33-27(20)25)32-22-11-9-21(10-12-22)30-24-17-34(18-24)13-14-35/h2-12,15-16,24,30,35H,1,13-14,17-18H2,(H,31,36)(H,29,32,33)	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))	BDBM318895 (N-(3-(2-((4-((1-(2-hydroxyethyl)azetidin-3-yl)amin...) Show SMILES OCCN1CC(C1)Nc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C28H28N6O2/c1-2-26(36)31-23-7-3-5-19(15-23)25-8-4-6-20-16-29-28(33-27(20)25)32-22-11-9-21(10-12-22)30-24-17-34(18-24)13-14-35/h2-12,15-16,24,30,35H,1,13-14,17-18H2,(H,31,36)(H,29,32,33)	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 [T790M,L858R] (Homo sapiens (Human))	BDBM318896 (N-(3-(2-((4-((1-(2-fluoroethyl)azetidin-3-yl)amino...) Show SMILES FCCN1CC(C1)Nc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C28H27FN6O/c1-2-26(36)32-23-7-3-5-19(15-23)25-8-4-6-20-16-30-28(34-27(20)25)33-22-11-9-21(10-12-22)31-24-17-35(18-24)14-13-29/h2-12,15-16,24,31H,1,13-14,17-18H2,(H,32,36)(H,30,33,34)	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318897 (N-(3-(2-((4-((3-fluoro-1-methylpiperidin-4-yl)amin...) Show SMILES CN1CCC(Nc2ccc(Nc3ncc4cccc(-c5cccc(NC(=O)C=C)c5)c4n3)cc2)C(F)C1 Show InChI InChI=1S/C29H29FN6O/c1-3-27(37)33-23-8-4-6-19(16-23)24-9-5-7-20-17-31-29(35-28(20)24)34-22-12-10-21(11-13-22)32-26-14-15-36(2)18-25(26)30/h3-13,16-17,25-26,32H,1,14-15,18H2,2H3,(H,33,37)(H,31,34,35)	PDB MMDB 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 [T790M,L858R] (Homo sapiens (Human))	BDBM318897 (N-(3-(2-((4-((3-fluoro-1-methylpiperidin-4-yl)amin...) Show SMILES CN1CCC(Nc2ccc(Nc3ncc4cccc(-c5cccc(NC(=O)C=C)c5)c4n3)cc2)C(F)C1 Show InChI InChI=1S/C29H29FN6O/c1-3-27(37)33-23-8-4-6-19(16-23)24-9-5-7-20-17-31-29(35-28(20)24)34-22-12-10-21(11-13-22)32-26-14-15-36(2)18-25(26)30/h3-13,16-17,25-26,32H,1,14-15,18H2,2H3,(H,33,37)(H,31,34,35)	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))	BDBM318897 (N-(3-(2-((4-((3-fluoro-1-methylpiperidin-4-yl)amin...) Show SMILES CN1CCC(Nc2ccc(Nc3ncc4cccc(-c5cccc(NC(=O)C=C)c5)c4n3)cc2)C(F)C1 Show InChI InChI=1S/C29H29FN6O/c1-3-27(37)33-23-8-4-6-19(16-23)24-9-5-7-20-17-31-29(35-28(20)24)34-22-12-10-21(11-13-22)32-26-14-15-36(2)18-25(26)30/h3-13,16-17,25-26,32H,1,14-15,18H2,2H3,(H,33,37)(H,31,34,35)	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 [T790M,L858R] (Homo sapiens (Human))	BDBM318898 (N-(3-(2-((4-(4-methyl-2-oxopiperazin-1-yl)phenyl)a...) Show SMILES CN1CCN(C(=O)C1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C28H26N6O2/c1-3-25(35)30-22-8-4-6-19(16-22)24-9-5-7-20-17-29-28(32-27(20)24)31-21-10-12-23(13-11-21)34-15-14-33(2)18-26(34)36/h3-13,16-17H,1,14-15,18H2,2H3,(H,30,35)(H,29,31,32)	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))	BDBM318898 (N-(3-(2-((4-(4-methyl-2-oxopiperazin-1-yl)phenyl)a...) Show SMILES CN1CCN(C(=O)C1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C28H26N6O2/c1-3-25(35)30-22-8-4-6-19(16-22)24-9-5-7-20-17-29-28(32-27(20)24)31-21-10-12-23(13-11-21)34-15-14-33(2)18-26(34)36/h3-13,16-17H,1,14-15,18H2,2H3,(H,30,35)(H,29,31,32)	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 [T790M,L858R] (Homo sapiens (Human))	BDBM318899 (N-(3-(2-((4-(2-methoxyethoxy)phenyl)amino)quinazol...) Show SMILES COCCOc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C26H24N4O3/c1-3-24(31)28-21-8-4-6-18(16-21)23-9-5-7-19-17-27-26(30-25(19)23)29-20-10-12-22(13-11-20)33-15-14-32-2/h3-13,16-17H,1,14-15H2,2H3,(H,28,31)(H,27,29,30)	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))	BDBM318899 (N-(3-(2-((4-(2-methoxyethoxy)phenyl)amino)quinazol...) Show SMILES COCCOc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C26H24N4O3/c1-3-24(31)28-21-8-4-6-18(16-21)23-9-5-7-19-17-27-26(30-25(19)23)29-20-10-12-22(13-11-20)33-15-14-32-2/h3-13,16-17H,1,14-15H2,2H3,(H,28,31)(H,27,29,30)	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

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