Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor (EGFR) (delE756-A750)'   

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 (EGFR) (delE756-A750) (Homo sapiens (Human))	BDBM202369 (US10081606, Compound I-1 | US9238629, I-1 | US9765...) 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 B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	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 (EGFR) (delE756-A750) (Homo sapiens (Human))	BDBM202370 (US10081606, Compound I-2 | US9238629, I-2 | US9765...) 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 B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<10	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 (EGFR) (delE756-A750) (Homo sapiens (Human))	BDBM202371 (US10081606, Compound I-3 | US9238629, I-3 | US9765...) 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 B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	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 (EGFR) (delE756-A750) (Homo sapiens (Human))	BDBM202390 (US10081606, Compound I-22 | US9238629, I-22 | US97...) 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 B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	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 (EGFR) (delE756-A750) (Homo sapiens (Human))	BDBM202379 (US10081606, Compound I-11 | US9238629, I-11 | US97...) 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 B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	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 (EGFR) (delE756-A750) (Homo sapiens (Human))	BDBM202384 (US10081606, Compound I-16 | US9238629, I-16 | US97...) 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 B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<10	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 (EGFR) (delE756-A750) (Homo sapiens (Human))	BDBM202385 (US9238629, I-17) Show SMILES COc1cccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)c1OC Show InChI InChI=1S/C21H20ClN5O3/c1-4-18(28)24-13-7-5-8-14(11-13)25-20-15(22)12-23-21(27-20)26-16-9-6-10-17(29-2)19(16)30-3/h4-12H,1H2,2-3H3,(H,24,28)(H2,23,25,26,27)	PDB MMDB B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	750	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 (EGFR) (delE756-A750) (Homo sapiens (Human))	BDBM202376 (US10081606, Compound I-8 | US9238629, I-8 | US9765...) 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 B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	750	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