Compile Data Set for Download or QSAR

Found 228 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor(L858R, T790M)'   

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(L858R, T790M) (Homo sapiens)	BDBM202369 (US10081606, Compound I-1 | US9238629, I-1) Show SMILES COc1ccccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F Show InChI InChI=1S/C21H18F3N5O2/c1-3-18(30)26-13-7-6-8-14(11-13)27-19-15(21(22,23)24)12-25-20(29-19)28-16-9-4-5-10-17(16)31-2/h3-12H,1H2,2H3,(H,26,30)(H2,25,27,28,29)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202370 (US10081606, Compound I-2 | US9238629, I-2) Show SMILES COc1ccccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F Show InChI InChI=1S/C21H17F3N4O3/c1-3-18(29)26-13-7-6-8-14(11-13)31-19-15(21(22,23)24)12-25-20(28-19)27-16-9-4-5-10-17(16)30-2/h3-12H,1H2,2H3,(H,26,29)(H,25,27,28)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202379 (US10081606, Compound I-11 | US9238629, I-11) Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1OC Show InChI InChI=1S/C23H22F3N5O4/c1-5-18(32)28-13-7-6-8-14(11-13)29-21-15(23(24,25)26)12-27-22(31-21)30-16-9-10-17(33-2)20(35-4)19(16)34-3/h5-12H,1H2,2-4H3,(H,28,32)(H2,27,29,30,31)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202378 (US10081606, Compound I-10 | US9238629, I-10) Show SMILES COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1OC Show InChI InChI=1S/C23H21F3N4O5/c1-5-18(31)28-13-7-6-8-14(11-13)35-21-15(23(24,25)26)12-27-22(30-21)29-16-9-10-17(32-2)20(34-4)19(16)33-3/h5-12H,1H2,2-4H3,(H,28,31)(H,27,29,30)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202377 (US10081606, Compound I-9 | US9238629, I-9) Show SMILES COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1 Show InChI InChI=1S/C22H19F3N4O4/c1-4-19(30)27-13-6-5-7-15(10-13)33-20-16(22(23,24)25)12-26-21(29-20)28-17-9-8-14(31-2)11-18(17)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202375 (US10081606, Compound I-7 | US9238629, I-7) Show SMILES COc1ccc(Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC Show InChI InChI=1S/C22H21ClN4O5/c1-5-18(28)25-13-7-6-8-14(11-13)32-21-15(23)12-24-22(27-21)26-16-9-10-17(29-2)20(31-4)19(16)30-3/h5-12H,1H2,2-4H3,(H,25,28)(H,24,26,27)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202374 (US10081606, Compound I-6 | US9238629, I-14 | US923...) Show SMILES COc1cccc(Nc2ncc(Br)c(Oc3cccc(NC(=O)C=C)c3)n2)c1OC Show InChI InChI=1S/C21H19BrN4O4/c1-4-18(27)24-13-7-5-8-14(11-13)30-20-15(22)12-23-21(26-20)25-16-9-6-10-17(28-2)19(16)29-3/h4-12H,1H2,2-3H3,(H,24,27)(H,23,25,26)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202373 (US10081606, Compound I-5 | US9238629, I-5) Show SMILES COc1ccc(Nc2ncc(Br)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC Show InChI InChI=1S/C22H22BrN5O4/c1-5-18(29)25-13-7-6-8-14(11-13)26-21-15(23)12-24-22(28-21)27-16-9-10-17(30-2)20(32-4)19(16)31-3/h5-12H,1H2,2-4H3,(H,25,29)(H2,24,26,27,28)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202371 (US10081606, Compound I-3 | US9238629, I-3) Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1 Show InChI InChI=1S/C22H20F3N5O3/c1-4-19(31)27-13-6-5-7-14(10-13)28-20-16(22(23,24)25)12-26-21(30-20)29-17-9-8-15(32-2)11-18(17)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202383 (US10081606, Compound I-15 | US9238629, I-15) Show SMILES COc1ccc(Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1 Show InChI InChI=1S/C21H19ClN4O4/c1-4-19(27)24-13-6-5-7-15(10-13)30-20-16(22)12-23-21(26-20)25-17-9-8-14(28-2)11-18(17)29-3/h4-12H,1H2,2-3H3,(H,24,27)(H,23,25,26)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202390 (US10081606, Compound I-22 | US9238629, I-22) Show SMILES COc1ccccc1Nc1ncc(Br)c(Nc2cccc(NC(=O)C=C)c2)n1 Show InChI InChI=1S/C20H18BrN5O2/c1-3-18(27)23-13-7-6-8-14(11-13)24-19-15(21)12-22-20(26-19)25-16-9-4-5-10-17(16)28-2/h3-12H,1H2,2H3,(H,23,27)(H2,22,24,25,26)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202388 (US10081606, Compound I-20 | US9238629, I-20) Show SMILES COc1ccc(Nc2ncc(Br)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1 Show InChI InChI=1S/C21H20BrN5O3/c1-4-19(28)24-13-6-5-7-14(10-13)25-20-16(22)12-23-21(27-20)26-17-9-8-15(29-2)11-18(17)30-3/h4-12H,1H2,2-3H3,(H,24,28)(H2,23,25,26,27)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202376 (US10081606, Compound I-8 | US9238629, I-8) Show SMILES COc1ccc(Nc2ncc(Br)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC Show InChI InChI=1S/C22H21BrN4O5/c1-5-18(28)25-13-7-6-8-14(11-13)32-21-15(23)12-24-22(27-21)26-16-9-10-17(29-2)20(31-4)19(16)30-3/h5-12H,1H2,2-4H3,(H,25,28)(H,24,26,27)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202384 (US10081606, Compound I-16 | US9238629, I-16) Show SMILES COc1cccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c1OC Show InChI InChI=1S/C22H20F3N5O3/c1-4-18(31)27-13-7-5-8-14(11-13)28-20-15(22(23,24)25)12-26-21(30-20)29-16-9-6-10-17(32-2)19(16)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202381 (US10081606, Compound I-13 | US9238629, I-13) Show SMILES COc1ccc(Nc2ncc(Br)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1 Show InChI InChI=1S/C21H19BrN4O4/c1-4-19(27)24-13-6-5-7-15(10-13)30-20-16(22)12-23-21(26-20)25-17-9-8-14(28-2)11-18(17)29-3/h4-12H,1H2,2-3H3,(H,24,27)(H,23,25,26)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202372 (US10081606, Compound I-4 | US9238629, I-4) Show SMILES COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC Show InChI InChI=1S/C22H22ClN5O4/c1-5-18(29)25-13-7-6-8-14(11-13)26-21-15(23)12-24-22(28-21)27-16-9-10-17(30-2)20(32-4)19(16)31-3/h5-12H,1H2,2-4H3,(H,25,29)(H2,24,26,27,28)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202389 (US10081606, Compound I-21 | US9238629, I-21) Show SMILES COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1 Show InChI InChI=1S/C21H20ClN5O3/c1-4-19(28)24-13-6-5-7-14(10-13)25-20-16(22)12-23-21(27-20)26-17-9-8-15(29-2)11-18(17)30-3/h4-12H,1H2,2-3H3,(H,24,28)(H2,23,25,26,27)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202391 (US10081606, Compound I-23 | US9238629, I-23) Show SMILES COc1cccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c1OC Show InChI InChI=1S/C22H19F3N4O4/c1-4-18(30)27-13-7-5-8-14(11-13)33-20-15(22(23,24)25)12-26-21(29-20)28-16-9-6-10-17(31-2)19(16)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173450 (US9096601, 8-24) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C)c3n2)cc1 Show InChI InChI=1S/C23H26N8/c1-29-12-14-31(15-13-29)19-10-8-18(9-11-19)25-22-24-16-20-21(28-22)30(2)23(27-20)26-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,26,27)(H,24,25,28)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	522	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173451 (US9096601, 8-25) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)[nH]c3n2)cc1 Show InChI InChI=1S/C22H24N8/c1-29-11-13-30(14-12-29)18-9-7-17(8-10-18)24-21-23-15-19-20(27-21)28-22(26-19)25-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H3,23,24,25,26,27,28)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	458	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM50399676 (CHEMBL2178352 | US9096601, 8-26) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173452 (US9096601, 8-27) Show SMILES CC(C)n1c(Nc2ccc(cc2)C(F)(F)F)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C26H29F3N8/c1-17(2)37-23-22(33-25(37)32-20-6-4-18(5-7-20)26(27,28)29)16-30-24(34-23)31-19-8-10-21(11-9-19)36-14-12-35(3)13-15-36/h4-11,16-17H,12-15H2,1-3H3,(H,32,33)(H,30,31,34)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173454 (US9096601, 8-29) Show SMILES CC(C)n1c(Nc2cccnc2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C24H29N9/c1-17(2)33-22-21(29-24(33)28-19-5-4-10-25-15-19)16-26-23(30-22)27-18-6-8-20(9-7-18)32-13-11-31(3)12-14-32/h4-10,15-17H,11-14H2,1-3H3,(H,28,29)(H,26,27,30)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173455 (US9096601, 8-30) Show SMILES CC(C)n1c(NC2CCCCC2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C25H36N8/c1-18(2)33-23-22(29-25(33)28-19-7-5-4-6-8-19)17-26-24(30-23)27-20-9-11-21(12-10-20)32-15-13-31(3)14-16-32/h9-12,17-19H,4-8,13-16H2,1-3H3,(H,28,29)(H,26,27,30)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	228	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173463 (US9096601, 8-38) Show SMILES CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3cccc(NC(=O)C=C)c3)nc12 Show InChI InChI=1S/C23H23N7O/c1-4-20(31)25-17-11-8-12-18(13-17)26-22-24-14-19-21(29-22)30(15(2)3)23(28-19)27-16-9-6-5-7-10-16/h4-15H,1H2,2-3H3,(H,25,31)(H,27,28)(H,24,26,29)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173427 (US9096601, 8-1) Show SMILES CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3ccc(cc3)C(=O)N[N]3=CCN(C)CC3)nc12 Show InChI InChI=1S/C26H30N9O/c1-18(2)35-23-22(30-26(35)29-20-7-5-4-6-8-20)17-27-25(31-23)28-21-11-9-19(10-12-21)24(36)32-34-15-13-33(3)14-16-34/h4-12,15,17-18H,13-14,16H2,1-3H3,(H,29,30)(H,32,36)(H,27,28,31)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173428 (US9096601, 8-2) Show SMILES CC(C)n1c(Nc2ccc(F)c(Cl)c2)nc2cnc(Nc3ccc(cc3)C(=O)NN3CCN(C)CC3)nc12 Show InChI InChI=1S/C26H29ClFN9O/c1-16(2)37-23-22(32-26(37)31-19-8-9-21(28)20(27)14-19)15-29-25(33-23)30-18-6-4-17(5-7-18)24(38)34-36-12-10-35(3)11-13-36/h4-9,14-16H,10-13H2,1-3H3,(H,31,32)(H,34,38)(H,29,30,33)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173429 (US9096601, 8-3) Show SMILES CC(C)n1c(Nc2cccc(NC(C)=O)c2)nc2cnc(Nc3ccc(cc3F)C(=O)N[N]3=CCN(C)CC3)nc12 Show InChI InChI=1S/C28H32FN10O2/c1-17(2)39-25-24(34-28(39)32-21-7-5-6-20(15-21)31-18(3)40)16-30-27(35-25)33-23-9-8-19(14-22(23)29)26(41)36-38-12-10-37(4)11-13-38/h5-9,12,14-17H,10-11,13H2,1-4H3,(H,31,40)(H,32,34)(H,36,41)(H,30,33,35)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173430 (US9096601, 8-4 | US9096601, 8-6) Show SMILES CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3ccc(cc3F)C(=O)NN3CCN(C)CC3)nc12 Show InChI InChI=1S/C26H30FN9O/c1-17(2)36-23-22(31-26(36)29-19-7-5-4-6-8-19)16-28-25(32-23)30-21-10-9-18(15-20(21)27)24(37)33-35-13-11-34(3)12-14-35/h4-10,15-17H,11-14H2,1-3H3,(H,29,31)(H,33,37)(H,28,30,32)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173431 (US9096601, 8-5) Show SMILES CC(C)n1c(Nc2ccc(F)c(Cl)c2)nc2cnc(Nc3ccc(cc3F)C(=O)NN3CCN(C)CC3)nc12 Show InChI InChI=1S/C26H28ClF2N9O/c1-15(2)38-23-22(33-26(38)31-17-5-6-19(28)18(27)13-17)14-30-25(34-23)32-21-7-4-16(12-20(21)29)24(39)35-37-10-8-36(3)9-11-37/h4-7,12-15H,8-11H2,1-3H3,(H,31,33)(H,35,39)(H,30,32,34)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173430 (US9096601, 8-4 | US9096601, 8-6) Show SMILES CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3ccc(cc3F)C(=O)NN3CCN(C)CC3)nc12 Show InChI InChI=1S/C26H30FN9O/c1-17(2)36-23-22(31-26(36)29-19-7-5-4-6-8-19)16-28-25(32-23)30-21-10-9-18(15-20(21)27)24(37)33-35-13-11-34(3)12-14-35/h4-10,15-17H,11-14H2,1-3H3,(H,29,31)(H,33,37)(H,28,30,32)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173433 (US9096601, 8-7) Show SMILES COc1cc(ccc1Nc1ncc2nc(Nc3ccccc3)n(C(C)C)c2n1)C(=O)NN1CCN(C)CC1 Show InChI InChI=1S/C27H33N9O2/c1-18(2)36-24-22(31-27(36)29-20-8-6-5-7-9-20)17-28-26(32-24)30-21-11-10-19(16-23(21)38-4)25(37)33-35-14-12-34(3)13-15-35/h5-11,16-18H,12-15H2,1-4H3,(H,29,31)(H,33,37)(H,28,30,32)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173435 (US9096601, 8-9) Show SMILES CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)nc12 Show InChI InChI=1S/C27H32N8O/c1-18(2)35-24-23(32-27(35)31-20-7-5-4-6-8-20)17-28-26(33-24)30-21-11-9-19(10-12-21)25(36)29-22-13-15-34(3)16-14-22/h4-12,17-18,22H,13-16H2,1-3H3,(H,29,36)(H,31,32)(H,28,30,33)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173436 (US9096601, 8-10) Show SMILES CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C25H30N8/c1-18(2)33-23-22(29-25(33)28-19-7-5-4-6-8-19)17-26-24(30-23)27-20-9-11-21(12-10-20)32-15-13-31(3)14-16-32/h4-12,17-18H,13-16H2,1-3H3,(H,28,29)(H,26,27,30)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173437 (US9096601, 8-11) Show SMILES CC(C)n1c(Nc2cccc(Br)c2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C25H29BrN8/c1-17(2)34-23-22(30-25(34)29-20-6-4-5-18(26)15-20)16-27-24(31-23)28-19-7-9-21(10-8-19)33-13-11-32(3)12-14-33/h4-10,15-17H,11-14H2,1-3H3,(H,29,30)(H,27,28,31)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173438 (US9096601, 8-12) Show SMILES CC(C)n1c(Nc2cccc(c2)C#C)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C27H30N8/c1-5-20-7-6-8-22(17-20)30-27-31-24-18-28-26(32-25(24)35(27)19(2)3)29-21-9-11-23(12-10-21)34-15-13-33(4)14-16-34/h1,6-12,17-19H,13-16H2,2-4H3,(H,30,31)(H,28,29,32)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173439 (US9096601, 8-13) Show SMILES CC(C)n1c(Nc2ccc(F)c(Cl)c2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C25H28ClFN8/c1-16(2)35-23-22(31-25(35)30-18-6-9-21(27)20(26)14-18)15-28-24(32-23)29-17-4-7-19(8-5-17)34-12-10-33(3)11-13-34/h4-9,14-16H,10-13H2,1-3H3,(H,30,31)(H,28,29,32)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173441 (US9096601, 8-15) Show SMILES CC(C)n1c(Nc2ccc(Br)cc2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C25H29BrN8/c1-17(2)34-23-22(30-25(34)29-20-6-4-18(26)5-7-20)16-27-24(31-23)28-19-8-10-21(11-9-19)33-14-12-32(3)13-15-33/h4-11,16-17H,12-15H2,1-3H3,(H,29,30)(H,27,28,31)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173442 (US9096601, 8-16) Show SMILES CC(C)n1c(Nc2cccc(c2)C(F)(F)F)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C26H29F3N8/c1-17(2)37-23-22(33-25(37)32-20-6-4-5-18(15-20)26(27,28)29)16-30-24(34-23)31-19-7-9-21(10-8-19)36-13-11-35(3)12-14-36/h4-10,15-17H,11-14H2,1-3H3,(H,32,33)(H,30,31,34)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173443 (US9096601, 8-17) Show SMILES COc1cccc(Nc2nc3cnc(Nc4ccc(cc4)N4CCN(C)CC4)nc3n2C(C)C)c1 Show InChI InChI=1S/C26H32N8O/c1-18(2)34-24-23(30-26(34)29-20-6-5-7-22(16-20)35-4)17-27-25(31-24)28-19-8-10-21(11-9-19)33-14-12-32(3)13-15-33/h5-11,16-18H,12-15H2,1-4H3,(H,29,30)(H,27,28,31)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173444 (US9096601, 8-18) Show SMILES COc1ccc(Nc2nc3cnc(Nc4ccc(cc4)N4CCN(C)CC4)nc3n2C(C)C)cc1 Show InChI InChI=1S/C26H32N8O/c1-18(2)34-24-23(30-26(34)29-20-7-11-22(35-4)12-8-20)17-27-25(31-24)28-19-5-9-21(10-6-19)33-15-13-32(3)14-16-33/h5-12,17-18H,13-16H2,1-4H3,(H,29,30)(H,27,28,31)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173445 (US9096601, 8-19) Show SMILES CC(C)n1c(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C32H34ClFN8O/c1-21(2)42-30-28(19-35-31(39-30)36-24-7-10-26(11-8-24)41-15-13-40(3)14-16-41)38-32(42)37-25-9-12-29(27(33)18-25)43-20-22-5-4-6-23(34)17-22/h4-12,17-19,21H,13-16,20H2,1-3H3,(H,37,38)(H,35,36,39)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173447 (US9096601, 8-21) Show SMILES CC(C)n1c(Nc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C32H34ClFN10O/c1-20(2)44-29-28(19-35-30(41-29)36-21-8-11-25(12-9-21)43-16-14-42(3)15-17-43)40-31(44)37-22-4-6-23(7-5-22)38-32(45)39-24-10-13-27(34)26(33)18-24/h4-13,18-20H,14-17H2,1-3H3,(H,37,40)(H,35,36,41)(H2,38,39,45)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173448 (US9096601, 8-22) Show SMILES CC(C)n1c(Nc2ccc(cc2)C(=O)Nc2cccc(F)c2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C32H34FN9O/c1-21(2)42-29-28(20-34-31(39-29)36-24-11-13-27(14-12-24)41-17-15-40(3)16-18-41)38-32(42)37-25-9-7-22(8-10-25)30(43)35-26-6-4-5-23(33)19-26/h4-14,19-21H,15-18H2,1-3H3,(H,35,43)(H,37,38)(H,34,36,39)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM173449 (US9096601, 8-23) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CC4)c3n2)cc1 Show InChI InChI=1S/C25H28N8/c1-31-13-15-32(16-14-31)20-9-7-19(8-10-20)27-24-26-17-22-23(30-24)33(21-11-12-21)25(29-22)28-18-5-3-2-4-6-18/h2-10,17,21H,11-16H2,1H3,(H,28,29)(H,26,27,30)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University US Patent					Assay Description The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...				US Patent US9096601 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SNG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202369 (US10081606, Compound I-1 | US9238629, I-1) Show SMILES COc1ccccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F Show InChI InChI=1S/C21H18F3N5O2/c1-3-18(30)26-13-7-6-8-14(11-13)27-19-15(21(22,23)24)12-25-20(29-19)28-16-9-4-5-10-17(16)31-2/h3-12H,1H2,2H3,(H,26,30)(H2,25,27,28,29)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13x ATP (AS001A) and...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202370 (US10081606, Compound I-2 | US9238629, I-2) Show SMILES COc1ccccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F Show InChI InChI=1S/C21H17F3N4O3/c1-3-18(29)26-13-7-6-8-14(11-13)31-19-15(21(22,23)24)12-25-20(28-19)27-16-9-4-5-10-17(16)30-2/h3-12H,1H2,2H3,(H,26,29)(H,25,27,28)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13x ATP (AS001A) and...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202371 (US10081606, Compound I-3 | US9238629, I-3) Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1 Show InChI InChI=1S/C22H20F3N5O3/c1-4-19(31)27-13-6-5-7-14(10-13)28-20-16(22(23,24)25)12-26-21(30-20)29-17-9-8-15(32-2)11-18(17)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13x ATP (AS001A) and...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202372 (US10081606, Compound I-4 | US9238629, I-4) Show SMILES COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC Show InChI InChI=1S/C22H22ClN5O4/c1-5-18(29)25-13-7-6-8-14(11-13)26-21-15(23)12-24-22(28-21)27-16-9-10-17(30-2)20(32-4)19(16)31-3/h5-12H,1H2,2-4H3,(H,25,29)(H2,24,26,27,28)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13x ATP (AS001A) and...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens)	BDBM202373 (US10081606, Compound I-5 | US9238629, I-5) Show SMILES COc1ccc(Nc2ncc(Br)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC Show InChI InChI=1S/C22H22BrN5O4/c1-5-18(29)25-13-7-6-8-14(11-13)26-21-15(23)12-24-22(28-21)27-16-9-10-17(30-2)20(32-4)19(16)31-3/h5-12H,1H2,2-4H3,(H,25,29)(H2,24,26,27,28)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13x ATP (AS001A) and...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair

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