Compile Data Set for Download or QSAR

Found 13 hits of ic50 for UniProtKB: P00533   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Epidermal growth factor receptor [1-745,751-1210] (Homo sapiens (Human))	BDBM504403 (US11040984, Compound 3) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1CC2(CCN(C)CC2)OC1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN199B
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-745,751-1210] (Homo sapiens (Human))	BDBM504412 (US11040984, Compound 18) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1C[C@H](CN(C)C)OC1=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN199B
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-745,751-1210] (Homo sapiens (Human))	BDBM504415 (US11040984, Compound 30) Show SMILES CCCN1CC2(C1)CN(C(=O)O2)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN199B
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-745,751-1210] (Homo sapiens (Human))	BDBM504411 (US11040984, Compound 13) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1CC2(CN(C)C2)OC1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN199B
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-745,751-1210] (Homo sapiens (Human))	BDBM504414 (US11040984, Compound 25) Show SMILES CCN1CC2(C1)CN(C(=O)O2)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0690	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN199B
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-745,751-1210] (Homo sapiens (Human))	BDBM504408 (US11040984, Compound 6) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1N1CC2(CCN(C)CC2)OC1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN199B
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-745,751-1210] (Homo sapiens (Human))	BDBM504410 (US11040984, Compound 12) Show SMILES CN1CCC2(CN(C(=O)O2)c2ccc3ncnc(Nc4cccc(Cl)c4F)c3c2)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0850	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN199B
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-745,751-1210] (Homo sapiens (Human))	BDBM504413 (US11040984, Compound 23) Show SMILES COC[C@@H]1CN(C(=O)O1)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN199B
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-745,751-1210] (Homo sapiens (Human))	BDBM504416 (US11040984, Compound 33) Show SMILES CC(C)N1CC2(C1)CN(C(=O)O2)c1ccc2ncnc(Nc3cccc(Cl)c3F)c2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN199B
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-745,751-1210] (Homo sapiens (Human))	BDBM391743 (N-(3-((2-((2-methoxy-4-(4-morpholinopiperidin-1-yl...) Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C30H34F3N7O3/c1-3-27(41)35-20-5-4-6-21(17-20)36-28-24(30(31,32)33)19-34-29(38-28)37-25-8-7-23(18-26(25)42-2)39-11-9-22(10-12-39)40-13-15-43-16-14-40/h3-8,17-19,22H,1,9-16H2,2H3,(H,35,41)(H2,34,36,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....				Bioorg Med Chem Lett 19: 62-6 (2009) BindingDB Entry DOI: 10.7270/Q2P84F65
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-745,751-1210] (Homo sapiens (Human))	BDBM504402 (US11040984, Compound 2) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1N1CC2(CCN(C)CC2)OC1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN199B
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-745,751-1210] (Homo sapiens (Human))	BDBM391742 (N-(3-((2-((2-methoxy-4-(1-(methylsulfonyl)piperidi...) Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C27H29F3N6O4S/c1-4-24(37)32-19-6-5-7-20(15-19)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-18(14-23(22)40-2)17-10-12-36(13-11-17)41(3,38)39/h4-9,14-17H,1,10-13H2,2-3H3,(H,32,37)(H2,31,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....				Bioorg Med Chem Lett 19: 62-6 (2009) BindingDB Entry DOI: 10.7270/Q2P84F65
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-745,751-1210] (Homo sapiens (Human))	BDBM504405 (US11040984, Compound 4) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3OC)c2cc1N1CC2(CCN(C)CC2)OC1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55.4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN199B
					More data for this Ligand-Target Pair